REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3r1r_1_C DATA FIRST_RESID 5 DATA SEQUENCE LLVTKRDGST ERINLDKIHR VLDWAAEGLH NVSISQVELR SHIQFYDGIK DATA SEQUENCE TSDIHETIIK AAADLISRDA PDYQYLAARL AIFHLRKKAY GQFEPPALYD DATA SEQUENCE HVVKMVEMGK YDNHLLEDYT EEEFKQMDTF IDHDRDMTFS YAAVKQLEGK DATA SEQUENCE YLVQNRVTGE IYESAQFLYI LVAACLFSNY PRETRLQYVK RFYDAVSTFK DATA SEQUENCE ISLPTPIMSG VRTPTRQFSS cVLIECGDSL DSINATSSAI VKYVSQRAGI DATA SEQUENCE GINAGRIRAL GSPIRGGEAF HTGCIPFYKH FQTAVKSCSQ GGVRGGAATL DATA SEQUENCE FYPMWHLEVE SLLVLKNNRG VEGNRVRHMD YGVQINKLMY TRLLKGEDIT DATA SEQUENCE LFSPSDVPGL YDAFFADQEE FERLYTKYEK DDSIRKQRVK AVELFSLMMQ DATA SEQUENCE ERASTGRIYI QNVDHCNTHS PFDPAIAPVR QSNLCLEIAL PTKPLNDVND DATA SEQUENCE ENGEIALcTL SAFNLGAINN LDELEELAIL AVRALDALLD YQDYPIPAAK DATA SEQUENCE RGAMGRRTLG IGVINFAYYL AKHGKRYSDG SANNLTHKTF EAIQYYLLKA DATA SEQUENCE SNELAKEQGA CPWFNETTYA KGILPIDTYK KDLDTIANEP LHYDWEALRE DATA SEQUENCE SIKTHGLRNS TLSALMPSET SSQISNATNG IEPPRGYVSI KASKDGILRQ DATA SEQUENCE VVPDYEHLHD AYELLWEMPG NDGYLQLVGI MQKFIDQSIS ANTNYDPSRF DATA SEQUENCE PSGKVPMQQL LKDLLTAYKF GVKTLYYQNT RDG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.844 176.870 -0.043 0.000 1.165 5 L CA 0.000 54.822 54.840 -0.030 0.000 0.813 5 L CB 0.000 42.054 42.059 -0.008 0.000 0.961 6 L N 3.533 124.727 121.223 -0.048 0.000 2.975 6 L HA -0.148 4.191 4.340 -0.001 0.000 0.550 6 L C -0.977 175.835 176.870 -0.096 0.000 1.001 6 L CA 0.255 55.064 54.840 -0.052 0.000 1.291 6 L CB -0.819 41.227 42.059 -0.023 0.000 1.434 6 L HN 0.385 nan 8.230 nan 0.000 0.696 7 V N 3.113 122.965 119.914 -0.102 0.000 2.962 7 V HA 0.668 4.787 4.120 -0.001 0.000 0.313 7 V C 0.240 176.279 176.094 -0.091 0.000 1.099 7 V CA -0.311 61.904 62.300 -0.141 0.000 0.971 7 V CB 2.677 34.399 31.823 -0.168 0.000 1.028 7 V HN 0.741 nan 8.190 nan 0.000 0.430 8 T N 4.204 118.705 114.554 -0.089 0.000 2.823 8 T HA 0.428 4.778 4.350 -0.001 0.000 0.279 8 T C -0.100 174.578 174.700 -0.036 0.000 0.998 8 T CA -0.447 61.626 62.100 -0.046 0.000 0.994 8 T CB 1.642 70.494 68.868 -0.026 0.000 0.960 8 T HN 0.555 nan 8.240 nan 0.000 0.448 9 K N 1.139 121.529 120.400 -0.017 0.000 2.836 9 K HA 0.411 4.731 4.320 -0.001 0.000 0.300 9 K C 1.485 178.090 176.600 0.009 0.000 1.004 9 K CA -0.738 55.547 56.287 -0.003 0.000 1.140 9 K CB 0.530 33.031 32.500 0.001 0.000 1.458 9 K HN 0.408 nan 8.250 nan 0.000 0.550 10 R N 0.506 121.015 120.500 0.016 0.000 2.127 10 R HA -0.047 4.292 4.340 -0.001 0.000 0.217 10 R C 1.589 177.897 176.300 0.013 0.000 1.074 10 R CA 0.848 56.959 56.100 0.018 0.000 0.991 10 R CB -0.040 30.271 30.300 0.019 0.000 0.895 10 R HN 0.602 nan 8.270 nan 0.000 0.450 11 D N -0.388 120.018 120.400 0.010 0.000 2.234 11 D HA -0.058 4.581 4.640 -0.001 0.000 0.205 11 D C 0.856 177.161 176.300 0.008 0.000 0.962 11 D CA 1.357 55.362 54.000 0.009 0.000 0.855 11 D CB 0.484 41.289 40.800 0.007 0.000 0.951 11 D HN 0.417 nan 8.370 nan 0.000 0.500 12 G N 0.262 109.066 108.800 0.008 0.000 2.148 12 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.157 12 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.157 12 G C -0.028 174.874 174.900 0.004 0.000 1.012 12 G CA 0.070 45.174 45.100 0.008 0.000 0.677 12 G HN 0.227 nan 8.290 nan 0.000 0.506 13 S N 1.576 117.277 115.700 0.002 0.000 2.438 13 S HA 0.613 5.082 4.470 -0.001 0.000 0.293 13 S C 0.851 175.447 174.600 -0.007 0.000 1.141 13 S CA 0.094 58.294 58.200 -0.001 0.000 1.080 13 S CB 1.113 64.313 63.200 0.000 0.000 0.978 13 S HN 0.472 nan 8.310 nan 0.000 0.479 14 T N 3.434 117.983 114.554 -0.008 0.000 2.791 14 T HA 0.238 4.588 4.350 -0.001 0.000 0.323 14 T C 0.184 174.873 174.700 -0.018 0.000 1.082 14 T CA -0.218 61.872 62.100 -0.016 0.000 1.084 14 T CB 0.301 69.162 68.868 -0.011 0.000 0.992 14 T HN 0.727 nan 8.240 nan 0.000 0.547 15 E N -0.391 119.793 120.200 -0.028 0.000 2.396 15 E HA 0.284 4.633 4.350 -0.001 0.000 0.280 15 E C -1.134 175.442 176.600 -0.039 0.000 1.065 15 E CA -1.043 55.340 56.400 -0.028 0.000 0.831 15 E CB 1.287 30.971 29.700 -0.027 0.000 1.272 15 E HN 0.660 nan 8.360 nan 0.000 0.443 16 R N 2.395 122.873 120.500 -0.035 0.000 2.531 16 R HA 0.467 4.807 4.340 -0.001 0.000 0.273 16 R C 0.222 176.487 176.300 -0.058 0.000 1.070 16 R CA -0.603 55.472 56.100 -0.042 0.000 1.112 16 R CB 0.381 30.663 30.300 -0.029 0.000 1.049 16 R HN 0.354 nan 8.270 nan 0.000 0.508 17 I N 2.484 123.010 120.570 -0.074 0.000 2.436 17 I HA 0.006 4.175 4.170 -0.001 0.000 0.289 17 I C -0.152 175.923 176.117 -0.069 0.000 1.083 17 I CA -0.042 61.199 61.300 -0.098 0.000 1.372 17 I CB 0.199 38.121 38.000 -0.131 0.000 1.408 17 I HN 0.421 nan 8.210 nan 0.000 0.516 18 N N 7.691 126.353 118.700 -0.062 0.000 2.501 18 N HA 0.258 4.998 4.740 -0.001 0.000 0.245 18 N C 0.706 176.196 175.510 -0.034 0.000 0.974 18 N CA -0.350 52.678 53.050 -0.037 0.000 0.941 18 N CB 2.076 40.549 38.487 -0.024 0.000 1.122 18 N HN 0.591 nan 8.380 nan 0.000 0.507 19 L N 0.537 121.747 121.223 -0.023 0.000 2.551 19 L HA -0.032 4.308 4.340 -0.001 0.000 0.228 19 L C 1.061 177.976 176.870 0.074 0.000 1.153 19 L CA 0.732 55.579 54.840 0.010 0.000 0.851 19 L CB 0.111 42.178 42.059 0.015 0.000 0.959 19 L HN 0.351 nan 8.230 nan 0.000 0.451 20 D N 0.232 120.662 120.400 0.049 0.000 2.234 20 D HA -0.098 4.542 4.640 -0.001 0.000 0.205 20 D C 1.947 178.300 176.300 0.087 0.000 0.962 20 D CA 0.694 54.739 54.000 0.075 0.000 0.855 20 D CB 0.277 41.097 40.800 0.032 0.000 0.951 20 D HN 0.349 nan 8.370 nan 0.000 0.500 21 K N 0.734 121.156 120.400 0.036 0.000 1.991 21 K HA -0.103 4.217 4.320 -0.001 0.000 0.212 21 K C 2.308 178.903 176.600 -0.008 0.000 1.049 21 K CA 0.845 57.134 56.287 0.003 0.000 0.932 21 K CB -0.081 32.408 32.500 -0.020 0.000 0.717 21 K HN 0.110 nan 8.250 nan 0.000 0.441 22 I N 0.652 121.229 120.570 0.011 0.000 2.091 22 I HA -0.349 3.820 4.170 -0.001 0.000 0.239 22 I C 2.655 178.803 176.117 0.052 0.000 1.061 22 I CA 1.780 63.091 61.300 0.017 0.000 1.317 22 I CB -0.488 37.584 38.000 0.120 0.000 1.031 22 I HN 0.272 nan 8.210 nan 0.000 0.401 23 H N 1.063 120.159 119.070 0.044 0.000 2.321 23 H HA -0.214 4.342 4.556 -0.001 0.000 0.295 23 H C 2.418 177.754 175.328 0.014 0.000 1.102 23 H CA 2.091 58.160 56.048 0.036 0.000 1.266 23 H CB -0.068 29.719 29.762 0.042 0.000 1.363 23 H HN 0.075 nan 8.280 nan 0.000 0.492 24 R N -0.470 120.062 120.500 0.054 0.000 2.115 24 R HA -0.182 4.158 4.340 -0.001 0.000 0.239 24 R C 2.432 178.696 176.300 -0.059 0.000 1.133 24 R CA 2.194 58.291 56.100 -0.005 0.000 0.935 24 R CB -0.558 29.745 30.300 0.004 0.000 0.853 24 R HN 0.239 nan 8.270 nan 0.000 0.433 25 V N 1.427 121.273 119.914 -0.113 0.000 2.231 25 V HA -0.319 3.801 4.120 -0.001 0.000 0.248 25 V C 2.396 178.513 176.094 0.038 0.000 1.054 25 V CA 2.135 64.353 62.300 -0.137 0.000 1.015 25 V CB -0.749 30.876 31.823 -0.330 0.000 0.638 25 V HN 0.317 nan 8.190 nan 0.000 0.444 26 L N 0.114 121.299 121.223 -0.064 0.000 1.990 26 L HA -0.283 4.057 4.340 -0.001 0.000 0.213 26 L C 2.482 179.279 176.870 -0.122 0.000 1.072 26 L CA 2.364 57.155 54.840 -0.081 0.000 0.755 26 L CB -0.865 41.117 42.059 -0.129 0.000 0.889 26 L HN 0.423 nan 8.230 nan 0.000 0.432 27 D N -0.795 119.470 120.400 -0.224 0.000 2.116 27 D HA -0.293 4.347 4.640 -0.001 0.000 0.193 27 D C 1.883 178.150 176.300 -0.056 0.000 0.998 27 D CA 1.627 55.515 54.000 -0.188 0.000 0.836 27 D CB -0.188 40.483 40.800 -0.215 0.000 0.951 27 D HN 0.388 nan 8.370 nan 0.000 0.449 28 W N 1.257 122.462 121.300 -0.158 0.000 2.333 28 W HA -0.126 4.534 4.660 -0.001 0.000 0.316 28 W C 2.164 178.633 176.519 -0.083 0.000 1.215 28 W CA 2.424 59.696 57.345 -0.120 0.000 1.278 28 W CB -0.802 28.561 29.460 -0.160 0.000 1.154 28 W HN 0.018 nan 8.180 nan 0.000 0.486 29 A N 0.575 123.085 122.820 -0.518 0.000 2.067 29 A HA 0.093 4.412 4.320 -0.001 0.000 0.219 29 A C 2.050 179.363 177.584 -0.452 0.000 1.158 29 A CA 1.979 53.520 52.037 -0.827 0.000 0.661 29 A CB -1.315 17.483 19.000 -0.337 0.000 0.801 29 A HN 0.493 nan 8.150 nan 0.000 0.452 30 A N -0.381 122.264 122.820 -0.292 0.000 2.072 30 A HA 0.118 4.437 4.320 -0.001 0.000 0.216 30 A C 0.820 178.261 177.584 -0.238 0.000 1.156 30 A CA 0.126 52.028 52.037 -0.225 0.000 0.701 30 A CB -0.308 18.585 19.000 -0.178 0.000 0.816 30 A HN 0.567 nan 8.150 nan 0.000 0.458 31 E N -0.628 119.416 120.200 -0.260 0.000 3.131 31 E HA 0.137 4.486 4.350 -0.001 0.000 0.258 31 E C 1.332 177.813 176.600 -0.199 0.000 0.901 31 E CA 0.814 57.089 56.400 -0.208 0.000 0.964 31 E CB -0.147 29.427 29.700 -0.210 0.000 0.903 31 E HN 0.691 nan 8.360 nan 0.000 0.537 32 G N 2.864 111.553 108.800 -0.184 0.000 2.245 32 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.264 32 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.264 32 G C 0.326 175.079 174.900 -0.246 0.000 0.985 32 G CA 0.421 45.417 45.100 -0.173 0.000 0.625 32 G HN 0.430 nan 8.290 nan 0.000 0.536 33 L N 0.034 121.098 121.223 -0.265 0.000 2.453 33 L HA 0.674 5.013 4.340 -0.001 0.000 0.261 33 L C 0.586 177.180 176.870 -0.460 0.000 1.179 33 L CA -0.833 53.876 54.840 -0.218 0.000 0.813 33 L CB 0.565 42.531 42.059 -0.155 0.000 1.110 33 L HN 0.169 nan 8.230 nan 0.000 0.466 34 H N 0.297 119.318 119.070 -0.080 0.000 2.495 34 H HA 0.313 4.869 4.556 -0.001 0.000 0.348 34 H C -0.166 175.094 175.328 -0.114 0.000 1.113 34 H CA -0.606 55.397 56.048 -0.075 0.000 1.195 34 H CB 1.243 30.984 29.762 -0.035 0.000 1.521 34 H HN 0.620 nan 8.280 nan 0.000 0.509 35 N N -0.474 118.203 118.700 -0.038 0.000 2.829 35 N HA -0.167 4.572 4.740 -0.001 0.000 0.250 35 N C -0.978 174.397 175.510 -0.225 0.000 1.090 35 N CA 0.976 53.981 53.050 -0.074 0.000 0.781 35 N CB -0.760 37.714 38.487 -0.021 0.000 1.124 35 N HN 0.338 nan 8.380 nan 0.000 0.559 36 V N -2.945 116.760 119.914 -0.350 0.000 2.667 36 V HA 0.848 4.968 4.120 -0.001 0.000 0.308 36 V C 0.399 176.387 176.094 -0.177 0.000 1.048 36 V CA -0.515 61.410 62.300 -0.626 0.000 0.928 36 V CB 2.131 33.397 31.823 -0.930 0.000 1.004 36 V HN 0.107 nan 8.190 nan 0.000 0.444 37 S N 4.047 119.795 115.700 0.079 0.000 2.566 37 S HA 0.455 4.924 4.470 -0.001 0.000 0.324 37 S C 0.890 175.543 174.600 0.088 0.000 1.081 37 S CA -0.817 57.432 58.200 0.083 0.000 1.105 37 S CB 0.715 63.977 63.200 0.103 0.000 0.981 37 S HN 0.643 nan 8.310 nan 0.000 0.464 38 I N 4.375 124.958 120.570 0.022 0.000 2.208 38 I HA -0.141 4.029 4.170 -0.001 0.000 0.245 38 I C 2.546 178.666 176.117 0.006 0.000 1.097 38 I CA 1.526 62.827 61.300 0.002 0.000 1.363 38 I CB -1.948 36.026 38.000 -0.044 0.000 1.051 38 I HN 0.754 nan 8.210 nan 0.000 0.413 39 S N 0.487 116.197 115.700 0.016 0.000 2.368 39 S HA -0.206 4.264 4.470 -0.001 0.000 0.225 39 S C 1.865 176.431 174.600 -0.056 0.000 1.030 39 S CA 0.742 58.929 58.200 -0.021 0.000 0.999 39 S CB -0.422 62.772 63.200 -0.010 0.000 0.844 39 S HN 0.363 nan 8.310 nan 0.000 0.459 40 Q N 1.357 121.145 119.800 -0.020 0.000 2.045 40 Q HA -0.051 4.289 4.340 -0.001 0.000 0.206 40 Q C 2.536 178.483 176.000 -0.087 0.000 0.991 40 Q CA 1.420 57.199 55.803 -0.041 0.000 0.851 40 Q CB -1.283 27.456 28.738 0.003 0.000 0.911 40 Q HN 0.498 nan 8.270 nan 0.000 0.418 41 V N 1.190 121.068 119.914 -0.060 0.000 2.255 41 V HA -0.279 3.840 4.120 -0.001 0.000 0.247 41 V C 2.227 178.227 176.094 -0.156 0.000 1.051 41 V CA 2.139 64.386 62.300 -0.089 0.000 1.018 41 V CB -0.575 31.233 31.823 -0.025 0.000 0.641 41 V HN 0.434 nan 8.190 nan 0.000 0.445 42 E N -0.226 119.854 120.200 -0.200 0.000 2.049 42 E HA -0.253 4.097 4.350 -0.001 0.000 0.198 42 E C 2.283 178.554 176.600 -0.548 0.000 1.007 42 E CA 1.590 57.706 56.400 -0.473 0.000 0.809 42 E CB -0.267 29.166 29.700 -0.445 0.000 0.749 42 E HN 0.470 nan 8.360 nan 0.000 0.450 43 L N 0.407 121.444 121.223 -0.309 0.000 1.990 43 L HA -0.258 4.082 4.340 -0.001 0.000 0.213 43 L C 2.650 179.404 176.870 -0.193 0.000 1.072 43 L CA 1.504 56.215 54.840 -0.215 0.000 0.755 43 L CB -0.253 41.727 42.059 -0.131 0.000 0.889 43 L HN 0.078 nan 8.230 nan 0.000 0.432 44 R N -0.733 119.663 120.500 -0.173 0.000 2.152 44 R HA -0.126 4.214 4.340 -0.001 0.000 0.232 44 R C 2.319 178.512 176.300 -0.179 0.000 1.117 44 R CA 1.614 57.623 56.100 -0.151 0.000 0.981 44 R CB -0.103 30.115 30.300 -0.137 0.000 0.870 44 R HN 0.490 nan 8.270 nan 0.000 0.451 45 S N -1.401 114.156 115.700 -0.238 0.000 2.468 45 S HA 0.028 4.498 4.470 -0.001 0.000 0.226 45 S C 1.549 175.682 174.600 -0.778 0.000 1.051 45 S CA 0.068 58.077 58.200 -0.318 0.000 0.943 45 S CB -0.288 62.824 63.200 -0.147 0.000 0.810 45 S HN 0.413 nan 8.310 nan 0.000 0.509 46 H N 0.869 119.431 119.070 -0.845 0.000 2.352 46 H HA 0.004 4.559 4.556 -0.001 0.000 0.299 46 H C 2.044 177.006 175.328 -0.611 0.000 1.097 46 H CA 1.284 56.734 56.048 -0.997 0.000 1.311 46 H CB -0.165 29.383 29.762 -0.357 0.000 1.377 46 H HN 0.259 nan 8.280 nan 0.000 0.504 47 I N 1.611 122.052 120.570 -0.215 0.000 2.502 47 I HA -0.256 3.913 4.170 -0.001 0.000 0.258 47 I C 1.244 177.321 176.117 -0.068 0.000 1.172 47 I CA 1.568 62.806 61.300 -0.103 0.000 1.430 47 I CB -0.133 37.823 38.000 -0.074 0.000 1.086 47 I HN 0.278 nan 8.210 nan 0.000 0.440 48 Q N -0.880 118.845 119.800 -0.125 0.000 2.220 48 Q HA 0.163 4.503 4.340 -0.001 0.000 0.205 48 Q C -0.251 175.923 176.000 0.289 0.000 0.865 48 Q CA -0.295 55.546 55.803 0.065 0.000 0.960 48 Q CB 0.172 28.945 28.738 0.060 0.000 1.097 48 Q HN 0.183 nan 8.270 nan 0.000 0.493 49 F N 1.240 121.238 119.950 0.081 0.000 2.378 49 F HA 0.374 4.901 4.527 -0.001 0.000 0.319 49 F C 0.142 175.993 175.800 0.084 0.000 1.155 49 F CA -1.720 56.264 58.000 -0.027 0.000 1.157 49 F CB 0.288 39.228 39.000 -0.100 0.000 1.252 49 F HN 0.010 nan 8.300 nan 0.000 0.550 50 Y N -2.333 118.066 120.300 0.165 0.000 2.604 50 Y HA 0.357 4.907 4.550 -0.000 0.000 0.331 50 Y C -1.201 174.715 175.900 0.028 0.000 1.158 50 Y CA -2.064 56.084 58.100 0.079 0.000 1.056 50 Y CB 0.074 38.572 38.460 0.063 0.000 1.330 50 Y HN 0.372 nan 8.280 nan 0.000 0.457 51 D N 2.008 122.515 120.400 0.178 0.000 2.662 51 D HA 0.347 4.987 4.640 -0.001 0.000 0.233 51 D C 1.144 177.503 176.300 0.098 0.000 1.129 51 D CA 3.092 57.145 54.000 0.088 0.000 0.851 51 D CB 0.334 41.190 40.800 0.093 0.000 1.152 51 D HN 1.254 nan 8.370 nan 0.000 0.507 52 G N 3.332 112.118 108.800 -0.024 0.000 2.160 52 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.244 52 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.244 52 G C 0.487 175.330 174.900 -0.094 0.000 1.022 52 G CA -0.046 45.041 45.100 -0.022 0.000 0.741 52 G HN 0.655 nan 8.290 nan 0.000 0.508 53 I N 0.953 121.312 120.570 -0.353 0.000 2.452 53 I HA 0.313 4.483 4.170 -0.001 0.000 0.287 53 I C 1.007 176.942 176.117 -0.302 0.000 1.079 53 I CA -0.742 60.193 61.300 -0.609 0.000 1.387 53 I CB 0.151 37.489 38.000 -1.104 0.000 1.404 53 I HN 0.193 nan 8.210 nan 0.000 0.522 54 K N 4.776 125.087 120.400 -0.148 0.000 2.559 54 K HA -0.084 4.235 4.320 -0.001 0.000 0.279 54 K C 1.153 177.686 176.600 -0.112 0.000 0.967 54 K CA 0.358 56.599 56.287 -0.075 0.000 1.000 54 K CB 0.301 32.798 32.500 -0.004 0.000 0.890 54 K HN 0.670 nan 8.250 nan 0.000 0.501 55 T N 0.572 115.084 114.554 -0.069 0.000 2.788 55 T HA -0.190 4.159 4.350 -0.001 0.000 0.268 55 T C 2.137 176.849 174.700 0.020 0.000 1.044 55 T CA 1.937 64.004 62.100 -0.055 0.000 1.139 55 T CB -0.126 68.738 68.868 -0.007 0.000 0.867 55 T HN 0.680 nan 8.240 nan 0.000 0.454 56 S N 0.753 116.498 115.700 0.074 0.000 2.359 56 S HA -0.188 4.282 4.470 -0.001 0.000 0.224 56 S C 1.814 176.444 174.600 0.051 0.000 1.035 56 S CA 2.100 60.382 58.200 0.136 0.000 1.018 56 S CB -0.869 62.421 63.200 0.150 0.000 0.876 56 S HN 0.582 nan 8.310 nan 0.000 0.448 57 D N 1.556 121.968 120.400 0.019 0.000 2.133 57 D HA -0.084 4.556 4.640 -0.001 0.000 0.195 57 D C 2.062 178.368 176.300 0.011 0.000 0.997 57 D CA 1.328 55.338 54.000 0.017 0.000 0.840 57 D CB -0.448 40.355 40.800 0.005 0.000 0.947 57 D HN 0.417 nan 8.370 nan 0.000 0.452 58 I N 0.679 121.196 120.570 -0.088 0.000 2.151 58 I HA -0.285 3.884 4.170 -0.001 0.000 0.243 58 I C 2.377 178.496 176.117 0.004 0.000 1.080 58 I CA 1.348 62.568 61.300 -0.135 0.000 1.339 58 I CB -0.964 36.809 38.000 -0.379 0.000 1.039 58 I HN 0.206 nan 8.210 nan 0.000 0.409 59 H N 1.446 120.490 119.070 -0.044 0.000 2.290 59 H HA -0.146 4.410 4.556 -0.001 0.000 0.298 59 H C 2.199 177.469 175.328 -0.097 0.000 1.087 59 H CA 1.553 57.562 56.048 -0.066 0.000 1.291 59 H CB 0.091 29.748 29.762 -0.174 0.000 1.369 59 H HN 0.330 nan 8.280 nan 0.000 0.492 60 E N -0.257 119.950 120.200 0.010 0.000 2.058 60 E HA -0.124 4.226 4.350 -0.001 0.000 0.194 60 E C 2.226 178.865 176.600 0.065 0.000 0.997 60 E CA 1.396 57.801 56.400 0.008 0.000 0.801 60 E CB -0.561 29.142 29.700 0.006 0.000 0.746 60 E HN 0.474 nan 8.360 nan 0.000 0.450 61 T N 2.677 117.292 114.554 0.102 0.000 2.607 61 T HA -0.176 4.174 4.350 -0.001 0.000 0.267 61 T C 2.220 176.970 174.700 0.084 0.000 1.049 61 T CA 1.858 64.032 62.100 0.122 0.000 1.162 61 T CB -0.504 68.516 68.868 0.254 0.000 0.863 61 T HN 0.419 nan 8.240 nan 0.000 0.424 62 I N -0.356 120.280 120.570 0.111 0.000 2.394 62 I HA -0.055 4.115 4.170 -0.001 0.000 0.251 62 I C 2.197 178.331 176.117 0.029 0.000 1.136 62 I CA 1.388 62.725 61.300 0.062 0.000 1.425 62 I CB -0.635 37.407 38.000 0.071 0.000 1.079 62 I HN 0.180 nan 8.210 nan 0.000 0.425 63 I N 1.330 121.938 120.570 0.063 0.000 2.127 63 I HA -0.258 3.911 4.170 -0.001 0.000 0.241 63 I C 2.761 178.806 176.117 -0.120 0.000 1.075 63 I CA 1.638 62.946 61.300 0.012 0.000 1.334 63 I CB -0.594 37.463 38.000 0.096 0.000 1.040 63 I HN 0.234 nan 8.210 nan 0.000 0.405 64 K N 0.878 121.242 120.400 -0.061 0.000 2.032 64 K HA -0.213 4.106 4.320 -0.001 0.000 0.209 64 K C 2.269 178.789 176.600 -0.134 0.000 1.048 64 K CA 1.608 57.841 56.287 -0.091 0.000 0.927 64 K CB -0.267 32.219 32.500 -0.023 0.000 0.712 64 K HN 0.328 nan 8.250 nan 0.000 0.441 65 A N 1.442 124.200 122.820 -0.103 0.000 1.869 65 A HA -0.266 4.053 4.320 -0.001 0.000 0.218 65 A C 2.365 179.826 177.584 -0.205 0.000 1.203 65 A CA 2.534 54.490 52.037 -0.135 0.000 0.638 65 A CB -0.980 17.960 19.000 -0.101 0.000 0.831 65 A HN 0.430 nan 8.150 nan 0.000 0.450 66 A N -0.505 122.215 122.820 -0.168 0.000 1.883 66 A HA 0.124 4.444 4.320 -0.001 0.000 0.217 66 A C 2.546 179.964 177.584 -0.276 0.000 1.186 66 A CA 2.464 54.401 52.037 -0.168 0.000 0.624 66 A CB -1.162 17.814 19.000 -0.041 0.000 0.822 66 A HN 1.282 nan 8.150 nan 0.000 0.444 67 A N -0.318 122.287 122.820 -0.360 0.000 1.978 67 A HA -0.177 4.143 4.320 -0.001 0.000 0.220 67 A C 1.605 179.041 177.584 -0.246 0.000 1.170 67 A CA 1.882 53.661 52.037 -0.429 0.000 0.636 67 A CB -0.524 18.076 19.000 -0.666 0.000 0.810 67 A HN 0.444 nan 8.150 nan 0.000 0.448 68 D N -0.525 119.738 120.400 -0.229 0.000 2.363 68 D HA 0.045 4.685 4.640 -0.001 0.000 0.220 68 D C 1.277 177.430 176.300 -0.245 0.000 0.994 68 D CA 0.556 54.444 54.000 -0.186 0.000 0.890 68 D CB 0.022 40.731 40.800 -0.152 0.000 0.906 68 D HN 0.476 nan 8.370 nan 0.000 0.530 69 L N 0.242 121.222 121.223 -0.406 0.000 2.640 69 L HA 0.251 4.590 4.340 -0.001 0.000 0.230 69 L C 0.745 177.434 176.870 -0.303 0.000 1.123 69 L CA -0.229 54.282 54.840 -0.548 0.000 0.900 69 L CB 0.390 41.674 42.059 -1.291 0.000 1.146 69 L HN -0.145 nan 8.230 nan 0.000 0.484 70 I N 0.891 121.373 120.570 -0.146 0.000 2.775 70 I HA -0.060 4.110 4.170 -0.001 0.000 0.290 70 I C 0.681 176.789 176.117 -0.014 0.000 1.203 70 I CA 0.789 62.090 61.300 0.002 0.000 1.433 70 I CB 0.568 38.562 38.000 -0.011 0.000 1.354 70 I HN 0.279 nan 8.210 nan 0.000 0.579 71 S N 5.306 121.012 115.700 0.009 0.000 2.615 71 S HA 0.384 4.854 4.470 -0.001 0.000 0.268 71 S C 0.444 174.979 174.600 -0.108 0.000 1.146 71 S CA -1.133 57.040 58.200 -0.045 0.000 0.818 71 S CB 1.481 64.670 63.200 -0.018 0.000 1.111 71 S HN 0.660 nan 8.310 nan 0.000 0.465 72 R N 1.183 121.548 120.500 -0.226 0.000 2.081 72 R HA -0.048 4.291 4.340 -0.001 0.000 0.235 72 R C 0.715 176.889 176.300 -0.210 0.000 1.131 72 R CA 1.818 57.606 56.100 -0.520 0.000 0.960 72 R CB -0.955 28.826 30.300 -0.865 0.000 0.856 72 R HN 0.757 nan 8.270 nan 0.000 0.436 73 D N 1.070 121.429 120.400 -0.068 0.000 2.269 73 D HA -0.004 4.636 4.640 -0.001 0.000 0.208 73 D C 0.360 176.687 176.300 0.046 0.000 0.963 73 D CA 0.935 54.950 54.000 0.024 0.000 0.864 73 D CB 0.264 41.071 40.800 0.012 0.000 0.936 73 D HN 0.314 nan 8.370 nan 0.000 0.505 74 A N 1.639 124.492 122.820 0.055 0.000 3.082 74 A HA 0.342 4.662 4.320 -0.001 0.000 0.328 74 A C -2.111 175.534 177.584 0.102 0.000 1.089 74 A CA -0.945 51.145 52.037 0.088 0.000 0.802 74 A CB 1.177 20.289 19.000 0.187 0.000 1.138 74 A HN -0.155 nan 8.150 nan 0.000 0.474 75 P HA 0.043 nan 4.420 nan 0.000 0.245 75 P C 0.110 177.455 177.300 0.074 0.000 1.206 75 P CA 0.756 63.895 63.100 0.065 0.000 0.781 75 P CB 0.468 32.226 31.700 0.097 0.000 0.994 76 D N -1.402 119.033 120.400 0.059 0.000 2.347 76 D HA -0.063 4.577 4.640 -0.001 0.000 0.215 76 D C 1.509 177.800 176.300 -0.016 0.000 0.976 76 D CA 0.596 54.654 54.000 0.097 0.000 0.884 76 D CB -0.649 40.173 40.800 0.035 0.000 0.915 76 D HN 0.105 nan 8.370 nan 0.000 0.526 77 Y N 1.524 121.823 120.300 -0.000 0.000 2.207 77 Y HA -0.206 4.344 4.550 -0.000 0.000 0.287 77 Y C 2.331 178.177 175.900 -0.089 0.000 1.156 77 Y CA 1.067 59.137 58.100 -0.050 0.000 1.182 77 Y CB -0.420 37.998 38.460 -0.071 0.000 0.979 77 Y HN 0.074 nan 8.280 nan 0.000 0.521 78 Q N -1.183 118.611 119.800 -0.009 0.000 2.082 78 Q HA -0.285 4.055 4.340 -0.001 0.000 0.211 78 Q C 1.914 177.793 176.000 -0.201 0.000 1.002 78 Q CA 2.379 58.077 55.803 -0.174 0.000 0.868 78 Q CB -0.590 27.860 28.738 -0.479 0.000 0.931 78 Q HN 0.568 nan 8.270 nan 0.000 0.414 79 Y N -0.160 120.194 120.300 0.090 0.000 2.314 79 Y HA -0.135 4.415 4.550 -0.000 0.000 0.293 79 Y C 2.027 177.948 175.900 0.036 0.000 1.129 79 Y CA 0.629 58.771 58.100 0.071 0.000 1.201 79 Y CB -0.386 38.091 38.460 0.027 0.000 0.999 79 Y HN 0.130 nan 8.280 nan 0.000 0.541 80 L N 0.258 121.549 121.223 0.114 0.000 2.017 80 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 80 L C 2.383 179.298 176.870 0.074 0.000 1.073 80 L CA 1.974 56.843 54.840 0.048 0.000 0.745 80 L CB -0.962 41.118 42.059 0.035 0.000 0.894 80 L HN 0.119 nan 8.230 nan 0.000 0.432 81 A N -0.237 122.611 122.820 0.046 0.000 1.858 81 A HA -0.129 4.191 4.320 -0.001 0.000 0.216 81 A C 2.489 180.174 177.584 0.169 0.000 1.190 81 A CA 2.049 54.047 52.037 -0.064 0.000 0.617 81 A CB -1.392 17.319 19.000 -0.482 0.000 0.827 81 A HN 0.609 nan 8.150 nan 0.000 0.443 82 A N -0.085 122.911 122.820 0.293 0.000 1.869 82 A HA -0.286 4.034 4.320 -0.001 0.000 0.218 82 A C 2.237 180.038 177.584 0.361 0.000 1.203 82 A CA 2.178 54.448 52.037 0.389 0.000 0.638 82 A CB -0.634 18.573 19.000 0.344 0.000 0.831 82 A HN 0.565 nan 8.150 nan 0.000 0.450 83 R N -0.711 119.963 120.500 0.290 0.000 2.080 83 R HA -0.110 4.230 4.340 -0.001 0.000 0.236 83 R C 2.196 178.798 176.300 0.503 0.000 1.137 83 R CA 1.704 57.991 56.100 0.312 0.000 0.943 83 R CB -0.677 29.581 30.300 -0.070 0.000 0.846 83 R HN 0.558 nan 8.270 nan 0.000 0.431 84 L N 0.161 121.626 121.223 0.404 0.000 1.997 84 L HA -0.296 4.043 4.340 -0.001 0.000 0.216 84 L C 2.697 179.862 176.870 0.492 0.000 1.074 84 L CA 1.625 56.763 54.840 0.497 0.000 0.763 84 L CB -0.722 41.535 42.059 0.330 0.000 0.890 84 L HN 0.331 nan 8.230 nan 0.000 0.434 85 A N 0.073 123.133 122.820 0.401 0.000 1.892 85 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 85 A C 2.200 179.983 177.584 0.331 0.000 1.188 85 A CA 1.798 54.052 52.037 0.361 0.000 0.631 85 A CB -0.642 18.590 19.000 0.387 0.000 0.822 85 A HN 0.313 nan 8.150 nan 0.000 0.447 86 I N -1.523 119.276 120.570 0.382 0.000 2.163 86 I HA -0.230 3.939 4.170 -0.001 0.000 0.243 86 I C 2.356 178.711 176.117 0.398 0.000 1.085 86 I CA 1.525 63.046 61.300 0.369 0.000 1.347 86 I CB -1.436 36.846 38.000 0.471 0.000 1.044 86 I HN 0.469 nan 8.210 nan 0.000 0.408 87 F N 1.596 121.819 119.950 0.455 0.000 2.065 87 F HA -0.336 4.190 4.527 -0.001 0.000 0.298 87 F C 2.896 178.796 175.800 0.166 0.000 1.112 87 F CA 2.446 60.706 58.000 0.432 0.000 1.212 87 F CB -0.628 38.620 39.000 0.414 0.000 0.975 87 F HN 0.191 nan 8.300 nan 0.000 0.476 88 H N 0.094 119.193 119.070 0.048 0.000 2.352 88 H HA -0.169 4.387 4.556 -0.001 0.000 0.299 88 H C 2.041 177.261 175.328 -0.179 0.000 1.097 88 H CA 2.488 58.347 56.048 -0.316 0.000 1.311 88 H CB -0.521 28.930 29.762 -0.519 0.000 1.377 88 H HN 0.390 nan 8.280 nan 0.000 0.504 89 L N -0.428 120.672 121.223 -0.206 0.000 2.093 89 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 89 L C 2.781 179.445 176.870 -0.344 0.000 1.085 89 L CA 0.838 55.506 54.840 -0.287 0.000 0.755 89 L CB -0.306 41.675 42.059 -0.130 0.000 0.904 89 L HN 0.212 nan 8.230 nan 0.000 0.435 90 R N 0.497 120.834 120.500 -0.272 0.000 2.103 90 R HA -0.155 4.185 4.340 -0.001 0.000 0.234 90 R C 2.217 178.315 176.300 -0.337 0.000 1.132 90 R CA 1.327 57.237 56.100 -0.317 0.000 0.925 90 R CB -0.782 29.322 30.300 -0.326 0.000 0.842 90 R HN 0.289 nan 8.270 nan 0.000 0.430 91 K N 1.155 121.355 120.400 -0.334 0.000 2.034 91 K HA -0.182 4.138 4.320 -0.001 0.000 0.214 91 K C 2.035 178.481 176.600 -0.257 0.000 1.051 91 K CA 1.188 57.327 56.287 -0.247 0.000 0.931 91 K CB -0.424 31.958 32.500 -0.198 0.000 0.715 91 K HN 0.215 nan 8.250 nan 0.000 0.446 92 K N 0.124 120.299 120.400 -0.374 0.000 2.089 92 K HA -0.189 4.131 4.320 -0.001 0.000 0.210 92 K C 2.013 178.418 176.600 -0.325 0.000 1.048 92 K CA 1.716 57.783 56.287 -0.366 0.000 0.926 92 K CB -0.060 32.145 32.500 -0.492 0.000 0.714 92 K HN 0.219 nan 8.250 nan 0.000 0.448 93 A N -0.807 121.740 122.820 -0.454 0.000 1.997 93 A HA -0.020 4.300 4.320 -0.001 0.000 0.212 93 A C 1.106 178.441 177.584 -0.415 0.000 1.178 93 A CA 0.675 52.389 52.037 -0.538 0.000 0.698 93 A CB -0.005 18.450 19.000 -0.909 0.000 0.842 93 A HN 0.297 nan 8.150 nan 0.000 0.458 94 Y N -1.584 118.667 120.300 -0.082 0.000 2.453 94 Y HA 0.403 4.953 4.550 -0.000 0.000 0.247 94 Y C 1.734 177.594 175.900 -0.066 0.000 1.124 94 Y CA -0.499 57.564 58.100 -0.062 0.000 1.243 94 Y CB -0.052 38.344 38.460 -0.106 0.000 1.213 94 Y HN 0.385 nan 8.280 nan 0.000 0.523 95 G N 1.052 109.864 108.800 0.019 0.000 2.155 95 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.257 95 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.257 95 G C 0.040 174.942 174.900 0.003 0.000 0.983 95 G CA 0.606 45.707 45.100 0.002 0.000 0.676 95 G HN 0.514 nan 8.290 nan 0.000 0.528 96 Q N -2.576 117.223 119.800 -0.002 0.000 2.702 96 Q HA 0.546 4.886 4.340 -0.001 0.000 0.289 96 Q C 0.286 176.251 176.000 -0.058 0.000 0.923 96 Q CA -0.583 55.208 55.803 -0.019 0.000 0.787 96 Q CB 0.068 28.811 28.738 0.008 0.000 1.476 96 Q HN 0.517 nan 8.270 nan 0.000 0.402 97 F N 1.420 121.213 119.950 -0.262 0.000 2.113 97 F HA 0.072 4.598 4.527 -0.001 0.000 0.297 97 F C 0.741 176.439 175.800 -0.170 0.000 1.103 97 F CA 1.327 59.130 58.000 -0.329 0.000 1.248 97 F CB 0.382 39.169 39.000 -0.354 0.000 0.999 97 F HN 0.549 nan 8.300 nan 0.000 0.475 98 E N 3.152 123.272 120.200 -0.134 0.000 2.265 98 E HA 0.100 4.450 4.350 -0.001 0.000 0.272 98 E C -2.250 174.098 176.600 -0.421 0.000 1.067 98 E CA -1.924 54.316 56.400 -0.266 0.000 0.900 98 E CB 0.204 29.852 29.700 -0.087 0.000 1.017 98 E HN 0.109 nan 8.360 nan 0.000 0.431 99 P HA 0.095 nan 4.420 nan 0.000 0.268 99 P C -2.307 174.622 177.300 -0.618 0.000 1.205 99 P CA -1.090 61.349 63.100 -1.103 0.000 0.771 99 P CB -0.217 30.588 31.700 -1.492 0.000 0.858 100 P HA 0.066 nan 4.420 nan 0.000 0.272 100 P C -0.392 176.926 177.300 0.029 0.000 1.254 100 P CA -0.213 62.779 63.100 -0.180 0.000 0.795 100 P CB 0.240 31.869 31.700 -0.119 0.000 1.022 101 A N 0.399 123.241 122.820 0.036 0.000 2.445 101 A HA 0.062 4.381 4.320 -0.001 0.000 0.242 101 A C 1.371 179.002 177.584 0.078 0.000 1.075 101 A CA -0.383 51.708 52.037 0.090 0.000 0.777 101 A CB -0.585 18.457 19.000 0.071 0.000 1.013 101 A HN 0.617 nan 8.150 nan 0.000 0.493 102 L N 2.370 123.666 121.223 0.121 0.000 1.990 102 L HA -0.217 4.123 4.340 -0.001 0.000 0.213 102 L C 2.026 178.831 176.870 -0.108 0.000 1.072 102 L CA 2.698 57.525 54.840 -0.021 0.000 0.755 102 L CB -1.287 40.850 42.059 0.131 0.000 0.889 102 L HN 0.874 nan 8.230 nan 0.000 0.432 103 Y N 0.548 120.762 120.300 -0.144 0.000 2.145 103 Y HA -0.262 4.288 4.550 -0.000 0.000 0.286 103 Y C 2.396 178.133 175.900 -0.272 0.000 1.145 103 Y CA 2.161 60.078 58.100 -0.305 0.000 1.148 103 Y CB -0.477 37.902 38.460 -0.134 0.000 0.981 103 Y HN 0.361 nan 8.280 nan 0.000 0.507 104 D N -1.127 119.183 120.400 -0.150 0.000 2.104 104 D HA -0.255 4.385 4.640 -0.001 0.000 0.194 104 D C 2.001 178.157 176.300 -0.241 0.000 0.994 104 D CA 2.016 55.899 54.000 -0.196 0.000 0.830 104 D CB -0.654 40.120 40.800 -0.043 0.000 0.959 104 D HN 0.518 nan 8.370 nan 0.000 0.452 105 H N 1.034 119.922 119.070 -0.304 0.000 2.290 105 H HA -0.107 4.448 4.556 -0.001 0.000 0.298 105 H C 2.099 177.236 175.328 -0.318 0.000 1.087 105 H CA 1.752 57.609 56.048 -0.319 0.000 1.291 105 H CB -0.425 28.999 29.762 -0.562 0.000 1.369 105 H HN -0.104 nan 8.280 nan 0.000 0.492 106 V N -0.303 119.322 119.914 -0.482 0.000 2.332 106 V HA -0.260 3.860 4.120 -0.001 0.000 0.248 106 V C 2.701 178.512 176.094 -0.472 0.000 1.055 106 V CA 1.579 63.615 62.300 -0.440 0.000 1.038 106 V CB -0.688 30.757 31.823 -0.630 0.000 0.651 106 V HN 0.338 nan 8.190 nan 0.000 0.450 107 V N 0.131 119.671 119.914 -0.623 0.000 2.233 107 V HA -0.361 3.759 4.120 -0.001 0.000 0.247 107 V C 2.449 178.332 176.094 -0.352 0.000 1.050 107 V CA 2.645 64.640 62.300 -0.507 0.000 1.010 107 V CB -0.714 30.752 31.823 -0.595 0.000 0.637 107 V HN 0.629 nan 8.190 nan 0.000 0.444 108 K N -0.486 119.710 120.400 -0.340 0.000 2.044 108 K HA -0.243 4.076 4.320 -0.001 0.000 0.210 108 K C 2.126 178.520 176.600 -0.344 0.000 1.049 108 K CA 2.053 58.171 56.287 -0.281 0.000 0.927 108 K CB -0.219 32.146 32.500 -0.225 0.000 0.713 108 K HN 0.250 nan 8.250 nan 0.000 0.443 109 M N 0.420 119.729 119.600 -0.485 0.000 2.229 109 M HA -0.093 4.386 4.480 -0.001 0.000 0.264 109 M C 2.196 178.263 176.300 -0.388 0.000 1.063 109 M CA 0.973 55.901 55.300 -0.619 0.000 1.114 109 M CB -0.432 31.441 32.600 -1.213 0.000 1.387 109 M HN 0.064 nan 8.290 nan 0.000 0.420 110 V N 0.453 120.217 119.914 -0.251 0.000 2.358 110 V HA -0.227 3.893 4.120 -0.001 0.000 0.246 110 V C 2.144 178.148 176.094 -0.149 0.000 1.047 110 V CA 1.641 63.857 62.300 -0.140 0.000 1.035 110 V CB -0.766 30.990 31.823 -0.111 0.000 0.658 110 V HN 0.470 nan 8.190 nan 0.000 0.452 111 E N -0.309 119.786 120.200 -0.175 0.000 2.153 111 E HA -0.205 4.145 4.350 -0.001 0.000 0.194 111 E C 2.032 178.539 176.600 -0.154 0.000 0.988 111 E CA 1.329 57.642 56.400 -0.145 0.000 0.811 111 E CB -0.188 29.426 29.700 -0.143 0.000 0.746 111 E HN 0.540 nan 8.360 nan 0.000 0.466 112 M N -0.930 118.541 119.600 -0.215 0.000 2.556 112 M HA 0.109 4.589 4.480 -0.001 0.000 0.245 112 M C 1.048 177.220 176.300 -0.213 0.000 1.128 112 M CA 0.557 55.714 55.300 -0.239 0.000 1.069 112 M CB 0.764 33.144 32.600 -0.368 0.000 1.469 112 M HN 0.229 nan 8.290 nan 0.000 0.494 113 G N 0.850 109.546 108.800 -0.174 0.000 2.176 113 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.252 113 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.252 113 G C 0.851 175.681 174.900 -0.116 0.000 1.024 113 G CA 0.178 45.211 45.100 -0.112 0.000 0.755 113 G HN 0.347 nan 8.290 nan 0.000 0.507 114 K N -1.341 118.933 120.400 -0.210 0.000 2.352 114 K HA 0.217 4.537 4.320 -0.001 0.000 0.194 114 K C 0.316 176.901 176.600 -0.024 0.000 1.038 114 K CA 0.488 56.653 56.287 -0.203 0.000 1.023 114 K CB 0.434 32.663 32.500 -0.451 0.000 0.840 114 K HN 0.443 nan 8.250 nan 0.000 0.519 115 Y N 0.848 121.091 120.300 -0.095 0.000 2.549 115 Y HA 0.239 4.788 4.550 -0.001 0.000 0.339 115 Y C 0.379 176.262 175.900 -0.028 0.000 1.053 115 Y CA -2.466 55.599 58.100 -0.058 0.000 1.105 115 Y CB 0.725 39.111 38.460 -0.123 0.000 1.258 115 Y HN -0.092 nan 8.280 nan 0.000 0.478 116 D N 1.390 121.899 120.400 0.181 0.000 2.382 116 D HA -0.039 4.601 4.640 -0.001 0.000 0.245 116 D C 0.736 177.074 176.300 0.064 0.000 1.120 116 D CA 0.104 54.191 54.000 0.145 0.000 0.890 116 D CB 0.915 41.879 40.800 0.273 0.000 1.201 116 D HN 0.715 nan 8.370 nan 0.000 0.433 117 N N 3.001 121.752 118.700 0.085 0.000 2.331 117 N HA -0.239 4.501 4.740 -0.001 0.000 0.180 117 N C 1.626 177.186 175.510 0.082 0.000 1.019 117 N CA 0.968 54.052 53.050 0.058 0.000 0.881 117 N CB -0.665 37.853 38.487 0.052 0.000 0.972 117 N HN 0.648 nan 8.380 nan 0.000 0.435 118 H N 0.980 120.114 119.070 0.107 0.000 2.426 118 H HA 0.002 4.557 4.556 -0.001 0.000 0.298 118 H C 2.128 177.569 175.328 0.189 0.000 1.107 118 H CA 1.080 57.203 56.048 0.124 0.000 1.298 118 H CB -0.624 29.208 29.762 0.116 0.000 1.377 118 H HN 0.113 nan 8.280 nan 0.000 0.519 119 L N -0.064 120.900 121.223 -0.432 0.000 2.013 119 L HA -0.195 4.145 4.340 -0.001 0.000 0.212 119 L C 2.603 179.682 176.870 0.349 0.000 1.073 119 L CA 1.542 56.341 54.840 -0.068 0.000 0.753 119 L CB -0.395 41.647 42.059 -0.028 0.000 0.890 119 L HN 0.357 nan 8.230 nan 0.000 0.432 120 L N -0.941 120.420 121.223 0.230 0.000 2.201 120 L HA -0.175 4.165 4.340 -0.001 0.000 0.212 120 L C 2.392 179.424 176.870 0.269 0.000 1.105 120 L CA 0.990 56.005 54.840 0.291 0.000 0.775 120 L CB -0.318 41.795 42.059 0.092 0.000 0.913 120 L HN 0.327 nan 8.230 nan 0.000 0.440 121 E N -0.320 119.996 120.200 0.194 0.000 2.122 121 E HA -0.151 4.198 4.350 -0.001 0.000 0.190 121 E C 1.374 178.051 176.600 0.128 0.000 0.977 121 E CA 0.865 57.355 56.400 0.151 0.000 0.820 121 E CB 0.076 29.855 29.700 0.132 0.000 0.770 121 E HN 0.411 nan 8.360 nan 0.000 0.462 122 D N -0.617 119.874 120.400 0.152 0.000 2.234 122 D HA -0.017 4.623 4.640 -0.001 0.000 0.205 122 D C -0.245 175.897 176.300 -0.264 0.000 0.962 122 D CA 0.986 54.977 54.000 -0.014 0.000 0.855 122 D CB 0.177 41.033 40.800 0.093 0.000 0.951 122 D HN 0.101 nan 8.370 nan 0.000 0.500 123 Y N -0.600 119.719 120.300 0.032 0.000 2.485 123 Y HA 0.327 4.877 4.550 -0.001 0.000 0.345 123 Y C 0.678 176.605 175.900 0.045 0.000 0.998 123 Y CA -1.235 56.778 58.100 -0.144 0.000 1.059 123 Y CB 1.666 39.691 38.460 -0.726 0.000 1.234 123 Y HN -0.326 nan 8.280 nan 0.000 0.461 124 T N -2.360 112.283 114.554 0.149 0.000 2.922 124 T HA 0.176 4.525 4.350 -0.001 0.000 0.285 124 T C 0.996 175.828 174.700 0.219 0.000 1.005 124 T CA -0.596 61.603 62.100 0.165 0.000 1.061 124 T CB 1.543 70.446 68.868 0.059 0.000 1.007 124 T HN 0.892 nan 8.240 nan 0.000 0.502 125 E N 0.679 120.927 120.200 0.080 0.000 2.130 125 E HA -0.271 4.079 4.350 -0.001 0.000 0.196 125 E C 1.516 178.017 176.600 -0.166 0.000 0.998 125 E CA 1.787 57.991 56.400 -0.325 0.000 0.806 125 E CB -0.062 29.076 29.700 -0.937 0.000 0.738 125 E HN 0.817 nan 8.360 nan 0.000 0.459 126 E N 0.676 120.815 120.200 -0.102 0.000 2.106 126 E HA -0.157 4.192 4.350 -0.001 0.000 0.192 126 E C 1.909 178.481 176.600 -0.047 0.000 0.984 126 E CA 1.222 57.578 56.400 -0.073 0.000 0.806 126 E CB -0.072 29.593 29.700 -0.058 0.000 0.750 126 E HN 0.365 nan 8.360 nan 0.000 0.458 127 E N -0.419 119.767 120.200 -0.023 0.000 2.077 127 E HA -0.171 4.179 4.350 -0.001 0.000 0.193 127 E C 1.666 178.172 176.600 -0.157 0.000 0.989 127 E CA 0.896 57.259 56.400 -0.061 0.000 0.800 127 E CB -0.177 29.533 29.700 0.017 0.000 0.746 127 E HN 0.219 nan 8.360 nan 0.000 0.452 128 F N 1.492 121.426 119.950 -0.028 0.000 2.134 128 F HA -0.178 4.348 4.527 -0.001 0.000 0.299 128 F C 2.278 178.018 175.800 -0.100 0.000 1.097 128 F CA 1.170 59.142 58.000 -0.046 0.000 1.264 128 F CB -0.170 38.912 39.000 0.138 0.000 1.001 128 F HN -0.127 nan 8.300 nan 0.000 0.479 129 K N -0.039 120.401 120.400 0.066 0.000 2.063 129 K HA -0.266 4.053 4.320 -0.001 0.000 0.208 129 K C 2.106 178.623 176.600 -0.138 0.000 1.048 129 K CA 1.644 57.915 56.287 -0.026 0.000 0.928 129 K CB -0.571 31.897 32.500 -0.053 0.000 0.713 129 K HN 0.392 nan 8.250 nan 0.000 0.442 130 Q N 0.543 120.222 119.800 -0.202 0.000 2.030 130 Q HA -0.141 4.199 4.340 -0.001 0.000 0.204 130 Q C 2.245 177.781 176.000 -0.774 0.000 0.986 130 Q CA 1.618 57.199 55.803 -0.371 0.000 0.843 130 Q CB 0.006 28.575 28.738 -0.281 0.000 0.904 130 Q HN 0.304 nan 8.270 nan 0.000 0.420 131 M N 0.207 119.397 119.600 -0.684 0.000 2.080 131 M HA -0.215 4.265 4.480 -0.001 0.000 0.260 131 M C 1.844 177.818 176.300 -0.544 0.000 1.068 131 M CA 1.403 56.221 55.300 -0.803 0.000 1.109 131 M CB -0.502 31.888 32.600 -0.349 0.000 1.342 131 M HN 0.194 nan 8.290 nan 0.000 0.405 132 D N 0.480 120.730 120.400 -0.251 0.000 2.149 132 D HA -0.183 4.456 4.640 -0.001 0.000 0.194 132 D C 1.969 178.179 176.300 -0.150 0.000 1.001 132 D CA 2.257 56.195 54.000 -0.102 0.000 0.849 132 D CB -0.215 40.587 40.800 0.004 0.000 0.939 132 D HN 0.472 nan 8.370 nan 0.000 0.449 133 T N -1.970 112.444 114.554 -0.233 0.000 2.849 133 T HA -0.175 4.174 4.350 -0.001 0.000 0.270 133 T C 1.952 176.630 174.700 -0.036 0.000 1.066 133 T CA 0.894 62.907 62.100 -0.146 0.000 1.130 133 T CB -0.590 68.182 68.868 -0.160 0.000 0.864 133 T HN -0.011 nan 8.240 nan 0.000 0.481 134 F N 1.567 121.436 119.950 -0.135 0.000 2.206 134 F HA 0.410 4.937 4.527 -0.001 0.000 0.298 134 F C 1.480 177.130 175.800 -0.251 0.000 1.090 134 F CA -1.478 56.416 58.000 -0.177 0.000 1.323 134 F CB -1.004 37.836 39.000 -0.266 0.000 1.028 134 F HN 0.185 nan 8.300 nan 0.000 0.492 135 I N 1.653 122.092 120.570 -0.217 0.000 2.880 135 I HA -0.130 4.040 4.170 -0.001 0.000 0.296 135 I C 0.030 176.090 176.117 -0.095 0.000 1.220 135 I CA 0.716 61.816 61.300 -0.333 0.000 1.435 135 I CB 0.085 37.865 38.000 -0.365 0.000 1.339 135 I HN 0.001 nan 8.210 nan 0.000 0.583 136 D N 5.279 125.690 120.400 0.019 0.000 2.375 136 D HA 0.160 4.799 4.640 -0.001 0.000 0.259 136 D C 0.839 177.123 176.300 -0.027 0.000 1.235 136 D CA -0.392 53.616 54.000 0.012 0.000 0.924 136 D CB 0.494 41.331 40.800 0.062 0.000 1.143 136 D HN 0.389 nan 8.370 nan 0.000 0.529 137 H N 1.577 120.674 119.070 0.044 0.000 2.489 137 H HA -0.072 4.483 4.556 -0.001 0.000 0.293 137 H C 0.519 175.889 175.328 0.071 0.000 1.066 137 H CA 0.891 56.943 56.048 0.006 0.000 1.305 137 H CB 0.470 30.167 29.762 -0.107 0.000 1.386 137 H HN 0.469 nan 8.280 nan 0.000 0.551 138 D N 0.617 121.136 120.400 0.197 0.000 2.263 138 D HA -0.097 4.542 4.640 -0.001 0.000 0.208 138 D C 2.138 178.509 176.300 0.120 0.000 0.971 138 D CA 0.384 54.503 54.000 0.198 0.000 0.867 138 D CB -0.134 40.768 40.800 0.169 0.000 0.929 138 D HN 0.388 nan 8.370 nan 0.000 0.492 139 R N 0.725 121.247 120.500 0.037 0.000 2.139 139 R HA -0.143 4.197 4.340 -0.001 0.000 0.243 139 R C 1.417 177.664 176.300 -0.088 0.000 1.145 139 R CA 1.042 57.087 56.100 -0.091 0.000 0.976 139 R CB -0.263 29.920 30.300 -0.195 0.000 0.866 139 R HN 0.195 nan 8.270 nan 0.000 0.449 140 D N 0.746 121.206 120.400 0.100 0.000 2.172 140 D HA -0.195 4.445 4.640 -0.001 0.000 0.196 140 D C 1.499 177.991 176.300 0.320 0.000 0.999 140 D CA 1.386 55.562 54.000 0.293 0.000 0.856 140 D CB -0.113 40.913 40.800 0.376 0.000 0.934 140 D HN 0.077 nan 8.370 nan 0.000 0.453 141 M N 0.009 119.758 119.600 0.248 0.000 2.706 141 M HA -0.057 4.423 4.480 -0.001 0.000 0.251 141 M C 1.621 177.998 176.300 0.129 0.000 1.070 141 M CA 0.834 56.260 55.300 0.209 0.000 1.073 141 M CB -0.465 32.228 32.600 0.155 0.000 1.449 141 M HN 0.065 nan 8.290 nan 0.000 0.531 142 T N -3.595 110.994 114.554 0.058 0.000 3.040 142 T HA 0.192 4.541 4.350 -0.001 0.000 0.250 142 T C 0.408 175.255 174.700 0.245 0.000 1.058 142 T CA -0.366 61.763 62.100 0.048 0.000 0.988 142 T CB -0.252 68.613 68.868 -0.006 0.000 0.993 142 T HN -0.029 nan 8.240 nan 0.000 0.519 143 F N 3.782 123.966 119.950 0.390 0.000 2.450 143 F HA 0.487 5.014 4.527 -0.000 0.000 0.339 143 F C 1.242 177.247 175.800 0.342 0.000 1.146 143 F CA -1.156 57.041 58.000 0.328 0.000 1.267 143 F CB 0.791 39.943 39.000 0.253 0.000 1.178 143 F HN 0.178 nan 8.300 nan 0.000 0.585 144 S N 2.196 118.114 115.700 0.363 0.000 2.578 144 S HA 0.214 4.684 4.470 -0.001 0.000 0.283 144 S C 0.772 175.398 174.600 0.042 0.000 1.195 144 S CA -0.683 57.500 58.200 -0.028 0.000 1.050 144 S CB 0.700 63.779 63.200 -0.203 0.000 1.012 144 S HN 0.629 nan 8.310 nan 0.000 0.511 145 Y N 2.954 123.195 120.300 -0.099 0.000 2.062 145 Y HA -0.342 4.208 4.550 -0.001 0.000 0.273 145 Y C 2.519 178.390 175.900 -0.049 0.000 1.206 145 Y CA 2.445 60.523 58.100 -0.037 0.000 1.125 145 Y CB -1.173 37.263 38.460 -0.039 0.000 0.951 145 Y HN 0.914 nan 8.280 nan 0.000 0.501 146 A N 0.131 122.860 122.820 -0.152 0.000 1.892 146 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 146 A C 2.523 179.955 177.584 -0.253 0.000 1.188 146 A CA 2.609 54.508 52.037 -0.230 0.000 0.631 146 A CB -1.659 17.276 19.000 -0.110 0.000 0.822 146 A HN 0.684 nan 8.150 nan 0.000 0.447 147 A N -0.554 122.158 122.820 -0.180 0.000 1.873 147 A HA -0.094 4.225 4.320 -0.001 0.000 0.218 147 A C 2.255 179.619 177.584 -0.366 0.000 1.193 147 A CA 2.146 54.049 52.037 -0.224 0.000 0.629 147 A CB -1.228 17.729 19.000 -0.071 0.000 0.826 147 A HN 0.521 nan 8.150 nan 0.000 0.447 148 V N 0.028 119.754 119.914 -0.313 0.000 2.282 148 V HA -0.310 3.810 4.120 -0.001 0.000 0.249 148 V C 2.562 178.458 176.094 -0.330 0.000 1.057 148 V CA 2.533 64.636 62.300 -0.328 0.000 1.032 148 V CB -0.763 30.990 31.823 -0.116 0.000 0.645 148 V HN 0.466 nan 8.190 nan 0.000 0.447 149 K N -0.059 120.094 120.400 -0.412 0.000 2.059 149 K HA -0.203 4.117 4.320 -0.001 0.000 0.212 149 K C 2.276 178.724 176.600 -0.253 0.000 1.050 149 K CA 1.587 57.663 56.287 -0.352 0.000 0.927 149 K CB -0.579 31.654 32.500 -0.445 0.000 0.714 149 K HN 0.461 nan 8.250 nan 0.000 0.447 150 Q N 0.109 119.744 119.800 -0.274 0.000 2.020 150 Q HA -0.102 4.238 4.340 -0.001 0.000 0.202 150 Q C 2.325 178.146 176.000 -0.297 0.000 0.982 150 Q CA 1.455 57.106 55.803 -0.255 0.000 0.838 150 Q CB -0.489 28.071 28.738 -0.298 0.000 0.899 150 Q HN 0.319 nan 8.270 nan 0.000 0.423 151 L N 0.800 121.766 121.223 -0.429 0.000 1.997 151 L HA -0.253 4.087 4.340 -0.001 0.000 0.216 151 L C 2.596 179.383 176.870 -0.139 0.000 1.074 151 L CA 1.856 56.478 54.840 -0.363 0.000 0.763 151 L CB -0.682 41.123 42.059 -0.424 0.000 0.890 151 L HN 0.313 nan 8.230 nan 0.000 0.434 152 E N 0.202 120.313 120.200 -0.149 0.000 2.085 152 E HA -0.205 4.144 4.350 -0.001 0.000 0.194 152 E C 2.182 178.753 176.600 -0.049 0.000 0.994 152 E CA 1.305 57.654 56.400 -0.085 0.000 0.801 152 E CB -0.182 29.466 29.700 -0.087 0.000 0.743 152 E HN 0.503 nan 8.360 nan 0.000 0.453 153 G N 0.849 109.614 108.800 -0.058 0.000 2.408 153 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.215 153 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.215 153 G C 1.209 176.123 174.900 0.023 0.000 1.156 153 G CA 1.026 46.112 45.100 -0.024 0.000 0.793 153 G HN 0.357 nan 8.290 nan 0.000 0.535 154 K N -2.524 117.914 120.400 0.064 0.000 2.684 154 K HA 0.425 4.744 4.320 -0.001 0.000 0.189 154 K C -0.060 176.722 176.600 0.304 0.000 1.154 154 K CA -0.405 55.971 56.287 0.149 0.000 1.109 154 K CB 0.143 32.730 32.500 0.145 0.000 0.826 154 K HN 0.141 nan 8.250 nan 0.000 0.501 155 Y N 0.817 121.114 120.300 -0.005 0.000 3.012 155 Y HA 0.375 4.924 4.550 -0.001 0.000 0.236 155 Y C 0.437 176.352 175.900 0.025 0.000 1.017 155 Y CA -0.714 57.389 58.100 0.006 0.000 1.364 155 Y CB 0.485 38.925 38.460 -0.032 0.000 1.491 155 Y HN -0.097 nan 8.280 nan 0.000 0.435 156 L N 1.630 122.968 121.223 0.192 0.000 2.525 156 L HA 0.031 4.371 4.340 -0.001 0.000 0.278 156 L C -0.071 176.878 176.870 0.131 0.000 1.218 156 L CA -0.191 54.730 54.840 0.134 0.000 0.878 156 L CB 0.173 42.266 42.059 0.058 0.000 1.127 156 L HN -0.194 nan 8.230 nan 0.000 0.492 157 V N 4.179 124.203 119.914 0.184 0.000 2.529 157 V HA 0.060 4.180 4.120 -0.001 0.000 0.292 157 V C 0.366 176.560 176.094 0.167 0.000 1.028 157 V CA 0.158 62.581 62.300 0.205 0.000 1.074 157 V CB 0.580 32.564 31.823 0.270 0.000 0.958 157 V HN 0.916 nan 8.190 nan 0.000 0.481 158 Q N 3.808 123.681 119.800 0.121 0.000 2.590 158 Q HA 0.453 4.793 4.340 -0.001 0.000 0.295 158 Q C -0.995 175.009 176.000 0.007 0.000 0.973 158 Q CA -1.036 54.719 55.803 -0.080 0.000 0.768 158 Q CB 1.779 30.449 28.738 -0.115 0.000 1.479 158 Q HN 0.493 nan 8.270 nan 0.000 0.419 159 N N 0.519 119.127 118.700 -0.153 0.000 2.426 159 N HA 0.156 4.896 4.740 -0.001 0.000 0.257 159 N C 0.195 175.691 175.510 -0.022 0.000 1.002 159 N CA -0.117 52.945 53.050 0.020 0.000 0.942 159 N CB 0.930 39.446 38.487 0.049 0.000 1.112 159 N HN 0.569 nan 8.380 nan 0.000 0.499 160 R N 2.510 123.019 120.500 0.014 0.000 2.115 160 R HA -0.004 4.336 4.340 -0.001 0.000 0.226 160 R C 1.498 177.800 176.300 0.002 0.000 1.100 160 R CA 0.726 56.828 56.100 0.005 0.000 0.980 160 R CB -0.390 29.921 30.300 0.018 0.000 0.875 160 R HN 0.417 nan 8.270 nan 0.000 0.445 161 V N 0.881 120.801 119.914 0.010 0.000 2.231 161 V HA -0.204 3.915 4.120 -0.001 0.000 0.240 161 V C 2.701 178.795 176.094 -0.000 0.000 1.039 161 V CA 2.415 64.720 62.300 0.008 0.000 0.998 161 V CB -1.145 30.686 31.823 0.015 0.000 0.639 161 V HN 0.426 nan 8.190 nan 0.000 0.451 162 T N -1.862 112.690 114.554 -0.002 0.000 2.833 162 T HA 0.081 4.430 4.350 -0.001 0.000 0.269 162 T C 1.670 176.347 174.700 -0.039 0.000 1.054 162 T CA 2.095 64.187 62.100 -0.013 0.000 1.135 162 T CB 0.074 68.938 68.868 -0.006 0.000 0.869 162 T HN 1.193 nan 8.240 nan 0.000 0.466 163 G N 1.063 109.826 108.800 -0.062 0.000 2.279 163 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.223 163 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.223 163 G C -0.094 174.706 174.900 -0.167 0.000 1.015 163 G CA -0.016 45.034 45.100 -0.084 0.000 0.621 163 G HN 0.705 nan 8.290 nan 0.000 0.506 164 E N 1.221 121.284 120.200 -0.228 0.000 2.708 164 E HA 0.161 4.510 4.350 -0.001 0.000 0.260 164 E C 0.330 176.554 176.600 -0.626 0.000 0.937 164 E CA 0.430 56.587 56.400 -0.405 0.000 0.953 164 E CB 0.565 29.967 29.700 -0.496 0.000 0.915 164 E HN 0.322 nan 8.360 nan 0.000 0.487 165 I N 4.208 124.476 120.570 -0.503 0.000 2.312 165 I HA 0.028 4.198 4.170 -0.001 0.000 0.290 165 I C -0.027 175.838 176.117 -0.421 0.000 1.008 165 I CA -0.282 60.766 61.300 -0.419 0.000 1.226 165 I CB 0.551 38.394 38.000 -0.261 0.000 1.371 165 I HN 0.621 nan 8.210 nan 0.000 0.468 166 Y N 4.536 124.795 120.300 -0.067 0.000 2.466 166 Y HA 0.109 4.659 4.550 -0.000 0.000 0.272 166 Y C 1.120 177.054 175.900 0.057 0.000 1.169 166 Y CA -0.326 57.746 58.100 -0.046 0.000 1.285 166 Y CB 0.221 38.639 38.460 -0.070 0.000 1.078 166 Y HN 0.596 nan 8.280 nan 0.000 0.523 167 E N -0.935 119.356 120.200 0.152 0.000 2.435 167 E HA 0.639 4.989 4.350 -0.001 0.000 0.272 167 E C -1.126 175.553 176.600 0.131 0.000 1.031 167 E CA -1.024 55.555 56.400 0.298 0.000 0.872 167 E CB 1.663 31.671 29.700 0.513 0.000 1.588 167 E HN -0.090 nan 8.360 nan 0.000 0.460 168 S N -0.728 115.128 115.700 0.259 0.000 2.570 168 S HA 0.668 5.138 4.470 -0.001 0.000 0.286 168 S C 0.895 175.609 174.600 0.189 0.000 1.099 168 S CA -0.344 57.938 58.200 0.137 0.000 0.913 168 S CB 1.489 64.734 63.200 0.074 0.000 1.085 168 S HN 0.888 nan 8.310 nan 0.000 0.480 169 A N 1.662 124.590 122.820 0.180 0.000 1.881 169 A HA -0.236 4.084 4.320 -0.001 0.000 0.219 169 A C 2.175 179.902 177.584 0.240 0.000 1.215 169 A CA 2.204 54.355 52.037 0.191 0.000 0.648 169 A CB -1.295 17.989 19.000 0.473 0.000 0.832 169 A HN 0.788 nan 8.150 nan 0.000 0.455 170 Q N -1.230 118.772 119.800 0.337 0.000 2.112 170 Q HA -0.166 4.173 4.340 -0.001 0.000 0.206 170 Q C 1.903 178.143 176.000 0.400 0.000 0.987 170 Q CA 1.413 57.444 55.803 0.379 0.000 0.858 170 Q CB -0.730 28.041 28.738 0.056 0.000 0.905 170 Q HN 0.700 nan 8.270 nan 0.000 0.420 171 F N 0.545 120.661 119.950 0.277 0.000 2.102 171 F HA -0.149 4.377 4.527 -0.001 0.000 0.298 171 F C 2.338 178.273 175.800 0.225 0.000 1.105 171 F CA 0.518 58.659 58.000 0.235 0.000 1.239 171 F CB -1.274 37.852 39.000 0.210 0.000 0.991 171 F HN 0.100 nan 8.300 nan 0.000 0.474 172 L N -0.955 120.489 121.223 0.368 0.000 1.971 172 L HA -0.329 4.011 4.340 -0.001 0.000 0.215 172 L C 2.481 179.461 176.870 0.183 0.000 1.072 172 L CA 1.825 56.773 54.840 0.181 0.000 0.758 172 L CB -0.757 41.309 42.059 0.011 0.000 0.889 172 L HN 0.045 nan 8.230 nan 0.000 0.433 173 Y N -0.429 120.068 120.300 0.329 0.000 2.145 173 Y HA -0.280 4.270 4.550 -0.001 0.000 0.286 173 Y C 2.356 178.504 175.900 0.413 0.000 1.145 173 Y CA 1.710 60.007 58.100 0.327 0.000 1.148 173 Y CB -0.687 37.928 38.460 0.259 0.000 0.981 173 Y HN 0.231 nan 8.280 nan 0.000 0.507 174 I N -0.142 120.785 120.570 0.594 0.000 2.163 174 I HA -0.280 3.890 4.170 -0.001 0.000 0.243 174 I C 1.994 178.239 176.117 0.214 0.000 1.085 174 I CA 1.569 63.070 61.300 0.336 0.000 1.347 174 I CB -0.470 37.584 38.000 0.090 0.000 1.044 174 I HN 0.134 nan 8.210 nan 0.000 0.408 175 L N -1.256 120.066 121.223 0.165 0.000 2.217 175 L HA -0.116 4.224 4.340 -0.001 0.000 0.211 175 L C 2.406 179.298 176.870 0.037 0.000 1.107 175 L CA 0.352 55.208 54.840 0.026 0.000 0.783 175 L CB -0.618 41.368 42.059 -0.122 0.000 0.919 175 L HN 0.082 nan 8.230 nan 0.000 0.442 176 V N 0.304 120.293 119.914 0.126 0.000 2.358 176 V HA -0.265 3.855 4.120 -0.001 0.000 0.246 176 V C 2.794 178.964 176.094 0.127 0.000 1.047 176 V CA 1.804 64.163 62.300 0.098 0.000 1.035 176 V CB -0.704 31.234 31.823 0.191 0.000 0.658 176 V HN 0.468 nan 8.190 nan 0.000 0.452 177 A N 0.144 123.148 122.820 0.307 0.000 1.865 177 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 177 A C 2.475 180.178 177.584 0.199 0.000 1.191 177 A CA 2.349 54.590 52.037 0.340 0.000 0.623 177 A CB -1.046 18.234 19.000 0.466 0.000 0.826 177 A HN 0.579 nan 8.150 nan 0.000 0.444 178 A N -0.742 122.140 122.820 0.104 0.000 1.884 178 A HA -0.277 4.043 4.320 -0.001 0.000 0.219 178 A C 2.374 180.070 177.584 0.186 0.000 1.197 178 A CA 2.082 54.127 52.037 0.013 0.000 0.637 178 A CB -1.500 17.337 19.000 -0.272 0.000 0.827 178 A HN 0.674 nan 8.150 nan 0.000 0.450 179 C N -0.752 118.593 119.300 0.075 0.000 2.453 179 C HA -0.021 4.438 4.460 -0.001 0.000 0.277 179 C C 2.618 177.498 174.990 -0.184 0.000 1.262 179 C CA 0.874 59.919 59.018 0.045 0.000 1.718 179 C CB -1.501 26.185 27.740 -0.090 0.000 2.031 179 C HN 0.610 nan 8.230 nan 0.000 0.480 180 L N -0.759 120.268 121.223 -0.326 0.000 2.131 180 L HA -0.104 4.236 4.340 -0.001 0.000 0.210 180 L C 1.332 177.866 176.870 -0.561 0.000 1.092 180 L CA 1.777 56.284 54.840 -0.555 0.000 0.759 180 L CB -0.518 41.092 42.059 -0.749 0.000 0.903 180 L HN 0.333 nan 8.230 nan 0.000 0.435 181 F N -0.984 118.857 119.950 -0.181 0.000 2.750 181 F HA 0.078 4.605 4.527 -0.001 0.000 0.297 181 F C 2.095 177.958 175.800 0.105 0.000 1.138 181 F CA -0.034 57.865 58.000 -0.169 0.000 1.346 181 F CB -0.090 38.661 39.000 -0.415 0.000 0.965 181 F HN -0.014 nan 8.300 nan 0.000 0.514 182 S N -0.702 115.155 115.700 0.262 0.000 2.447 182 S HA -0.128 4.342 4.470 -0.001 0.000 0.233 182 S C 1.479 176.144 174.600 0.108 0.000 1.006 182 S CA 1.092 59.416 58.200 0.207 0.000 0.957 182 S CB -0.230 63.144 63.200 0.290 0.000 0.773 182 S HN 0.281 nan 8.310 nan 0.000 0.507 183 N N 0.421 119.221 118.700 0.167 0.000 2.314 183 N HA 0.259 4.999 4.740 -0.001 0.000 0.200 183 N C -0.939 174.622 175.510 0.085 0.000 1.135 183 N CA -0.062 53.037 53.050 0.083 0.000 0.835 183 N CB -0.219 38.282 38.487 0.023 0.000 0.989 183 N HN 0.439 nan 8.380 nan 0.000 0.478 184 Y N 1.744 122.061 120.300 0.030 0.000 2.336 184 Y HA 0.188 4.738 4.550 -0.001 0.000 0.331 184 Y C -1.545 174.376 175.900 0.035 0.000 1.211 184 Y CA -2.069 56.065 58.100 0.057 0.000 1.346 184 Y CB 0.078 38.628 38.460 0.150 0.000 1.271 184 Y HN 0.047 nan 8.280 nan 0.000 0.538 185 P HA 0.037 nan 4.420 nan 0.000 0.267 185 P C 0.019 177.379 177.300 0.100 0.000 1.200 185 P CA 0.092 63.222 63.100 0.051 0.000 0.772 185 P CB 0.689 32.404 31.700 0.026 0.000 0.855 186 R N 1.852 122.386 120.500 0.055 0.000 2.237 186 R HA -0.105 4.235 4.340 -0.001 0.000 0.219 186 R C 1.783 178.124 176.300 0.069 0.000 1.080 186 R CA 0.965 57.099 56.100 0.058 0.000 0.995 186 R CB -0.186 30.127 30.300 0.022 0.000 0.875 186 R HN 0.617 nan 8.270 nan 0.000 0.462 187 E N 0.505 120.744 120.200 0.065 0.000 2.268 187 E HA -0.124 4.226 4.350 -0.001 0.000 0.195 187 E C 1.252 177.894 176.600 0.070 0.000 0.995 187 E CA 1.660 58.092 56.400 0.054 0.000 0.836 187 E CB -0.060 29.663 29.700 0.038 0.000 0.763 187 E HN 0.392 nan 8.360 nan 0.000 0.491 188 T N -2.761 111.874 114.554 0.135 0.000 2.986 188 T HA 0.231 4.581 4.350 -0.001 0.000 0.264 188 T C 1.722 176.553 174.700 0.218 0.000 0.964 188 T CA 0.003 62.191 62.100 0.146 0.000 0.895 188 T CB 0.349 69.373 68.868 0.261 0.000 1.163 188 T HN 0.025 nan 8.240 nan 0.000 0.517 189 R N 1.452 122.115 120.500 0.272 0.000 2.154 189 R HA -0.033 4.306 4.340 -0.001 0.000 0.236 189 R C 2.143 178.548 176.300 0.175 0.000 1.121 189 R CA 2.116 58.383 56.100 0.277 0.000 0.915 189 R CB -0.859 29.590 30.300 0.249 0.000 0.856 189 R HN 0.380 nan 8.270 nan 0.000 0.431 190 L N 0.581 121.910 121.223 0.178 0.000 2.187 190 L HA -0.232 4.108 4.340 -0.001 0.000 0.213 190 L C 2.845 179.735 176.870 0.034 0.000 1.100 190 L CA 1.669 56.626 54.840 0.196 0.000 0.765 190 L CB -0.685 41.534 42.059 0.266 0.000 0.904 190 L HN 0.572 nan 8.230 nan 0.000 0.437 191 Q N -0.249 119.506 119.800 -0.075 0.000 2.020 191 Q HA -0.249 4.091 4.340 -0.001 0.000 0.202 191 Q C 2.295 178.051 176.000 -0.406 0.000 0.982 191 Q CA 1.916 57.561 55.803 -0.262 0.000 0.838 191 Q CB -0.230 28.337 28.738 -0.285 0.000 0.899 191 Q HN 0.369 nan 8.270 nan 0.000 0.423 192 Y N 0.128 120.199 120.300 -0.382 0.000 2.097 192 Y HA -0.263 4.286 4.550 -0.001 0.000 0.282 192 Y C 2.456 177.929 175.900 -0.710 0.000 1.152 192 Y CA 1.344 59.012 58.100 -0.720 0.000 1.136 192 Y CB -0.752 36.959 38.460 -1.249 0.000 0.975 192 Y HN -0.021 nan 8.280 nan 0.000 0.498 193 V N 0.449 120.187 119.914 -0.294 0.000 2.252 193 V HA -0.389 3.730 4.120 -0.001 0.000 0.249 193 V C 2.496 178.528 176.094 -0.103 0.000 1.056 193 V CA 2.414 64.663 62.300 -0.084 0.000 1.022 193 V CB -0.605 31.275 31.823 0.095 0.000 0.641 193 V HN 0.381 nan 8.190 nan 0.000 0.445 194 K N -0.386 119.762 120.400 -0.420 0.000 2.032 194 K HA -0.216 4.103 4.320 -0.001 0.000 0.209 194 K C 2.402 178.804 176.600 -0.330 0.000 1.048 194 K CA 1.701 57.519 56.287 -0.783 0.000 0.927 194 K CB -0.180 31.274 32.500 -1.743 0.000 0.712 194 K HN 0.368 nan 8.250 nan 0.000 0.441 195 R N -0.449 119.866 120.500 -0.308 0.000 2.080 195 R HA -0.166 4.173 4.340 -0.001 0.000 0.236 195 R C 2.371 178.626 176.300 -0.076 0.000 1.137 195 R CA 1.838 57.818 56.100 -0.199 0.000 0.943 195 R CB -0.566 29.601 30.300 -0.223 0.000 0.846 195 R HN 0.242 nan 8.270 nan 0.000 0.431 196 F N 0.685 120.534 119.950 -0.169 0.000 2.134 196 F HA -0.276 4.251 4.527 -0.001 0.000 0.299 196 F C 2.302 178.088 175.800 -0.023 0.000 1.097 196 F CA 1.440 59.410 58.000 -0.050 0.000 1.264 196 F CB -0.536 38.497 39.000 0.055 0.000 1.001 196 F HN 0.026 nan 8.300 nan 0.000 0.479 197 Y N 1.333 121.647 120.300 0.023 0.000 2.097 197 Y HA -0.297 4.252 4.550 -0.001 0.000 0.282 197 Y C 2.240 178.007 175.900 -0.221 0.000 1.152 197 Y CA 2.248 60.319 58.100 -0.048 0.000 1.136 197 Y CB -0.897 37.579 38.460 0.027 0.000 0.975 197 Y HN 0.063 nan 8.280 nan 0.000 0.498 198 D N 0.520 120.730 120.400 -0.317 0.000 2.104 198 D HA -0.223 4.417 4.640 -0.001 0.000 0.194 198 D C 2.359 178.369 176.300 -0.483 0.000 0.994 198 D CA 1.625 55.362 54.000 -0.438 0.000 0.830 198 D CB -0.831 39.835 40.800 -0.223 0.000 0.959 198 D HN 0.523 nan 8.370 nan 0.000 0.452 199 A N 0.938 123.523 122.820 -0.392 0.000 1.873 199 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 199 A C 2.554 179.840 177.584 -0.496 0.000 1.193 199 A CA 2.907 54.716 52.037 -0.379 0.000 0.629 199 A CB -1.017 17.788 19.000 -0.325 0.000 0.826 199 A HN 0.244 nan 8.150 nan 0.000 0.447 200 V N -1.419 118.088 119.914 -0.679 0.000 2.379 200 V HA -0.133 3.987 4.120 -0.001 0.000 0.245 200 V C 2.408 177.891 176.094 -1.018 0.000 1.044 200 V CA 2.288 64.175 62.300 -0.689 0.000 1.036 200 V CB -1.400 30.075 31.823 -0.580 0.000 0.664 200 V HN 0.705 nan 8.190 nan 0.000 0.453 201 S N 1.828 116.762 115.700 -1.277 0.000 2.474 201 S HA -0.133 4.337 4.470 -0.001 0.000 0.235 201 S C 1.681 175.542 174.600 -1.231 0.000 0.997 201 S CA 1.358 58.720 58.200 -1.397 0.000 0.949 201 S CB -1.126 61.328 63.200 -1.242 0.000 0.766 201 S HN 0.941 nan 8.310 nan 0.000 0.517 202 T N -1.839 112.153 114.554 -0.935 0.000 3.243 202 T HA 0.396 4.745 4.350 -0.001 0.000 0.264 202 T C 0.101 174.469 174.700 -0.555 0.000 1.000 202 T CA -0.758 60.867 62.100 -0.791 0.000 0.901 202 T CB -1.308 67.291 68.868 -0.449 0.000 1.083 202 T HN 0.254 nan 8.240 nan 0.000 0.559 203 F N -0.353 119.448 119.950 -0.247 0.000 3.097 203 F HA -0.214 4.313 4.527 -0.000 0.000 0.278 203 F C 1.204 176.959 175.800 -0.076 0.000 0.917 203 F CA 0.233 58.156 58.000 -0.128 0.000 0.962 203 F CB -2.469 36.503 39.000 -0.046 0.000 0.964 203 F HN 0.290 nan 8.300 nan 0.000 0.668 204 K N 0.294 120.682 120.400 -0.020 0.000 2.167 204 K HA 0.294 4.614 4.320 -0.001 0.000 0.203 204 K C 0.728 177.379 176.600 0.085 0.000 1.052 204 K CA 1.043 57.342 56.287 0.021 0.000 0.956 204 K CB 0.310 32.779 32.500 -0.053 0.000 0.735 204 K HN 0.453 nan 8.250 nan 0.000 0.451 205 I N 0.095 120.672 120.570 0.013 0.000 2.498 205 I HA 0.191 4.360 4.170 -0.001 0.000 0.290 205 I C -0.672 175.461 176.117 0.027 0.000 1.032 205 I CA -0.625 60.694 61.300 0.031 0.000 1.073 205 I CB 2.288 40.263 38.000 -0.042 0.000 1.251 205 I HN -0.179 nan 8.210 nan 0.000 0.426 206 S N 6.111 121.846 115.700 0.060 0.000 2.525 206 S HA 0.724 5.194 4.470 -0.001 0.000 0.290 206 S C -0.532 174.128 174.600 0.099 0.000 1.152 206 S CA -0.511 57.758 58.200 0.115 0.000 1.072 206 S CB 1.282 64.556 63.200 0.123 0.000 1.027 206 S HN 0.325 nan 8.310 nan 0.000 0.500 207 L N 3.598 124.914 121.223 0.156 0.000 2.381 207 L HA 0.517 4.857 4.340 -0.001 0.000 0.268 207 L C -2.336 174.599 176.870 0.107 0.000 0.997 207 L CA -2.450 52.459 54.840 0.116 0.000 0.818 207 L CB 2.204 44.343 42.059 0.133 0.000 1.310 207 L HN 0.410 nan 8.230 nan 0.000 0.416 208 P HA 0.064 nan 4.420 nan 0.000 0.268 208 P C 0.478 177.787 177.300 0.015 0.000 1.208 208 P CA -0.174 62.961 63.100 0.058 0.000 0.777 208 P CB 0.456 32.182 31.700 0.042 0.000 0.875 209 T N 2.381 116.967 114.554 0.053 0.000 2.665 209 T HA -0.120 4.230 4.350 -0.001 0.000 0.268 209 T C -0.921 173.750 174.700 -0.049 0.000 1.035 209 T CA 2.080 64.182 62.100 0.003 0.000 1.151 209 T CB -2.007 66.932 68.868 0.117 0.000 0.862 209 T HN 0.499 nan 8.240 nan 0.000 0.438 210 P HA -0.048 nan 4.420 nan 0.000 0.214 210 P C 1.621 179.000 177.300 0.131 0.000 1.163 210 P CA 1.106 64.273 63.100 0.111 0.000 0.889 210 P CB -0.289 31.503 31.700 0.154 0.000 0.790 211 I N -1.502 119.085 120.570 0.030 0.000 2.099 211 I HA -0.255 3.914 4.170 -0.001 0.000 0.239 211 I C 2.569 178.594 176.117 -0.152 0.000 1.066 211 I CA 1.563 62.791 61.300 -0.121 0.000 1.324 211 I CB -0.702 37.214 38.000 -0.141 0.000 1.037 211 I HN -0.119 nan 8.210 nan 0.000 0.401 212 M N 0.501 119.958 119.600 -0.238 0.000 2.149 212 M HA -0.163 4.316 4.480 -0.001 0.000 0.261 212 M C 2.549 178.615 176.300 -0.390 0.000 1.064 212 M CA 2.062 57.097 55.300 -0.442 0.000 1.102 212 M CB -1.197 30.731 32.600 -1.120 0.000 1.369 212 M HN 0.412 nan 8.290 nan 0.000 0.408 213 S N -1.203 114.337 115.700 -0.267 0.000 2.439 213 S HA 0.095 4.564 4.470 -0.001 0.000 0.224 213 S C 1.935 176.575 174.600 0.068 0.000 1.029 213 S CA 0.770 58.925 58.200 -0.073 0.000 0.946 213 S CB -0.482 62.713 63.200 -0.009 0.000 0.797 213 S HN 0.496 nan 8.310 nan 0.000 0.504 214 G N 0.961 109.844 108.800 0.139 0.000 2.724 214 G HA2 0.271 4.230 3.960 -0.001 0.000 0.205 214 G HA3 0.271 4.230 3.960 -0.001 0.000 0.205 214 G C 0.232 175.338 174.900 0.343 0.000 1.112 214 G CA -0.105 45.179 45.100 0.306 0.000 0.793 214 G HN 0.362 nan 8.290 nan 0.000 0.526 215 V N 2.741 122.710 119.914 0.093 0.000 2.420 215 V HA 0.249 4.368 4.120 -0.001 0.000 0.274 215 V C 1.190 177.287 176.094 0.006 0.000 1.003 215 V CA 1.572 63.809 62.300 -0.106 0.000 1.092 215 V CB -0.293 31.265 31.823 -0.441 0.000 1.002 215 V HN 0.812 nan 8.190 nan 0.000 0.473 216 R N 2.521 123.086 120.500 0.109 0.000 1.733 216 R HA -0.103 4.237 4.340 -0.001 0.000 0.323 216 R C 0.419 176.784 176.300 0.108 0.000 0.198 216 R CA 0.598 56.693 56.100 -0.008 0.000 1.456 216 R CB -1.268 28.916 30.300 -0.192 0.000 1.723 216 R HN 0.667 nan 8.270 nan 0.000 0.187 217 T N -1.161 113.537 114.554 0.239 0.000 2.881 217 T HA 0.547 4.897 4.350 -0.001 0.000 0.278 217 T C -1.875 172.973 174.700 0.247 0.000 0.982 217 T CA -1.413 60.847 62.100 0.267 0.000 0.989 217 T CB 1.790 70.801 68.868 0.238 0.000 1.058 217 T HN -0.093 nan 8.240 nan 0.000 0.529 218 P HA 0.020 nan 4.420 nan 0.000 0.223 218 P C 0.942 178.299 177.300 0.094 0.000 1.144 218 P CA 0.697 63.877 63.100 0.134 0.000 0.783 218 P CB -0.301 31.445 31.700 0.076 0.000 0.771 219 T N -0.630 113.971 114.554 0.079 0.000 2.640 219 T HA 0.112 4.462 4.350 -0.001 0.000 0.316 219 T C 1.087 175.719 174.700 -0.114 0.000 1.036 219 T CA 0.149 62.218 62.100 -0.051 0.000 1.009 219 T CB 0.245 69.049 68.868 -0.105 0.000 1.017 219 T HN -0.156 nan 8.240 nan 0.000 0.530 220 R N 0.280 120.533 120.500 -0.411 0.000 2.496 220 R HA 0.202 4.541 4.340 -0.001 0.000 0.369 220 R C -0.464 175.289 176.300 -0.912 0.000 0.896 220 R CA -0.078 55.699 56.100 -0.539 0.000 1.147 220 R CB 0.231 30.375 30.300 -0.260 0.000 1.697 220 R HN 0.660 nan 8.270 nan 0.000 0.518 221 Q N 0.170 119.414 119.800 -0.927 0.000 2.322 221 Q HA 0.332 4.672 4.340 -0.001 0.000 0.256 221 Q C -0.346 175.190 176.000 -0.773 0.000 0.960 221 Q CA 0.075 55.500 55.803 -0.630 0.000 0.934 221 Q CB 0.639 29.184 28.738 -0.321 0.000 1.200 221 Q HN -0.006 nan 8.270 nan 0.000 0.435 222 F N -1.157 118.782 119.950 -0.017 0.000 2.915 222 F HA 0.158 4.685 4.527 -0.001 0.000 0.347 222 F C 0.400 176.198 175.800 -0.003 0.000 1.104 222 F CA -0.463 57.535 58.000 -0.003 0.000 1.126 222 F CB 0.816 39.818 39.000 0.003 0.000 1.145 222 F HN 0.207 nan 8.300 nan 0.000 0.541 223 S N 0.803 116.573 115.700 0.116 0.000 2.510 223 S HA 0.164 4.634 4.470 -0.001 0.000 0.279 223 S C 1.188 175.821 174.600 0.055 0.000 1.284 223 S CA 0.012 58.260 58.200 0.079 0.000 1.059 223 S CB 1.080 64.319 63.200 0.066 0.000 0.901 223 S HN 0.256 nan 8.310 nan 0.000 0.491 224 S N 0.775 116.494 115.700 0.032 0.000 2.486 224 S HA 0.134 4.604 4.470 -0.001 0.000 0.220 224 S C 0.593 175.180 174.600 -0.022 0.000 1.011 224 S CA -0.321 57.891 58.200 0.020 0.000 0.921 224 S CB -0.307 62.909 63.200 0.027 0.000 0.785 224 S HN 0.881 nan 8.310 nan 0.000 0.517 225 c N 0.225 118.785 118.600 -0.068 0.000 2.985 225 c HA 0.855 5.425 4.570 -0.001 0.000 0.332 225 c C -0.557 173.415 174.090 -0.197 0.000 1.164 225 c CA -1.085 55.178 56.329 -0.111 0.000 1.347 225 c CB 0.811 43.277 42.510 -0.074 0.000 1.764 225 c HN 0.109 nan 8.230 nan 0.000 0.489 226 V N 1.757 121.514 119.914 -0.261 0.000 2.864 226 V HA 0.729 4.849 4.120 -0.001 0.000 0.314 226 V C -0.898 175.079 176.094 -0.194 0.000 1.073 226 V CA -0.508 61.583 62.300 -0.349 0.000 0.956 226 V CB 1.952 33.375 31.823 -0.668 0.000 1.023 226 V HN 0.766 nan 8.190 nan 0.000 0.435 227 L N 4.918 126.044 121.223 -0.161 0.000 2.377 227 L HA 0.579 4.918 4.340 -0.001 0.000 0.270 227 L C -0.584 176.223 176.870 -0.106 0.000 0.991 227 L CA 0.320 55.087 54.840 -0.121 0.000 0.851 227 L CB 1.341 43.321 42.059 -0.131 0.000 1.218 227 L HN 0.418 nan 8.230 nan 0.000 0.420 228 I N 1.854 122.366 120.570 -0.096 0.000 2.412 228 I HA 0.433 4.603 4.170 -0.001 0.000 0.296 228 I C 0.058 176.121 176.117 -0.090 0.000 0.987 228 I CA -0.619 60.632 61.300 -0.081 0.000 1.180 228 I CB 1.917 39.867 38.000 -0.083 0.000 1.340 228 I HN 0.569 nan 8.210 nan 0.000 0.455 229 E N 5.369 125.529 120.200 -0.067 0.000 2.179 229 E HA 0.362 4.712 4.350 -0.001 0.000 0.275 229 E C -1.591 174.989 176.600 -0.033 0.000 0.945 229 E CA -0.664 55.706 56.400 -0.050 0.000 0.792 229 E CB 1.878 31.551 29.700 -0.046 0.000 1.125 229 E HN 0.715 nan 8.360 nan 0.000 0.397 230 C N 4.802 124.094 119.300 -0.014 0.000 2.281 230 C HA 0.749 5.208 4.460 -0.001 0.000 0.325 230 C C 0.745 175.755 174.990 0.033 0.000 1.282 230 C CA -0.163 58.866 59.018 0.018 0.000 1.640 230 C CB -0.656 27.116 27.740 0.054 0.000 2.288 230 C HN 0.856 nan 8.230 nan 0.000 0.507 231 G N 3.435 112.248 108.800 0.022 0.000 2.572 231 G HA2 0.271 4.231 3.960 -0.001 0.000 0.261 231 G HA3 0.271 4.231 3.960 -0.001 0.000 0.261 231 G C -0.240 174.662 174.900 0.004 0.000 1.197 231 G CA -0.087 45.014 45.100 0.002 0.000 0.870 231 G HN 0.837 nan 8.290 nan 0.000 0.548 232 D N -0.551 119.840 120.400 -0.014 0.000 2.608 232 D HA 0.339 4.979 4.640 -0.001 0.000 0.224 232 D C 0.213 176.505 176.300 -0.013 0.000 1.123 232 D CA 0.071 54.064 54.000 -0.012 0.000 1.030 232 D CB -0.444 40.344 40.800 -0.021 0.000 1.093 232 D HN 0.474 nan 8.370 nan 0.000 0.497 233 S N 1.236 116.917 115.700 -0.033 0.000 2.542 233 S HA 0.184 4.653 4.470 -0.001 0.000 0.276 233 S C 0.853 175.413 174.600 -0.066 0.000 1.148 233 S CA -0.937 57.245 58.200 -0.030 0.000 0.886 233 S CB 0.628 63.824 63.200 -0.007 0.000 1.109 233 S HN 0.134 nan 8.310 nan 0.000 0.458 234 L N 1.238 122.427 121.223 -0.057 0.000 2.043 234 L HA -0.155 4.185 4.340 -0.001 0.000 0.212 234 L C 2.009 178.872 176.870 -0.012 0.000 1.075 234 L CA 1.847 56.653 54.840 -0.058 0.000 0.752 234 L CB -0.649 41.410 42.059 0.000 0.000 0.891 234 L HN 0.759 nan 8.230 nan 0.000 0.432 235 D N -0.827 119.577 120.400 0.006 0.000 2.104 235 D HA -0.192 4.447 4.640 -0.001 0.000 0.194 235 D C 2.332 178.653 176.300 0.036 0.000 0.994 235 D CA 1.696 55.711 54.000 0.025 0.000 0.830 235 D CB -0.067 40.746 40.800 0.022 0.000 0.959 235 D HN 0.149 nan 8.370 nan 0.000 0.452 236 S N -0.217 115.498 115.700 0.026 0.000 2.368 236 S HA -0.070 4.400 4.470 -0.001 0.000 0.224 236 S C 2.181 176.832 174.600 0.085 0.000 1.029 236 S CA 0.447 58.673 58.200 0.043 0.000 0.988 236 S CB -0.209 63.008 63.200 0.028 0.000 0.838 236 S HN 0.166 nan 8.310 nan 0.000 0.462 237 I N 1.872 122.479 120.570 0.061 0.000 2.163 237 I HA -0.218 3.952 4.170 -0.001 0.000 0.243 237 I C 2.279 178.536 176.117 0.233 0.000 1.085 237 I CA 1.268 62.653 61.300 0.142 0.000 1.347 237 I CB -0.684 37.201 38.000 -0.192 0.000 1.044 237 I HN 0.316 nan 8.210 nan 0.000 0.408 238 N N 1.267 120.053 118.700 0.143 0.000 2.084 238 N HA -0.149 4.591 4.740 -0.001 0.000 0.190 238 N C 1.924 177.531 175.510 0.161 0.000 1.030 238 N CA 1.747 54.900 53.050 0.171 0.000 0.849 238 N CB -0.566 37.989 38.487 0.113 0.000 1.012 238 N HN 0.365 nan 8.380 nan 0.000 0.423 239 A N 0.479 123.369 122.820 0.117 0.000 1.873 239 A HA -0.200 4.119 4.320 -0.001 0.000 0.218 239 A C 2.403 180.049 177.584 0.104 0.000 1.193 239 A CA 2.422 54.514 52.037 0.093 0.000 0.629 239 A CB -1.369 17.671 19.000 0.067 0.000 0.826 239 A HN 0.347 nan 8.150 nan 0.000 0.447 240 T N -0.459 114.166 114.554 0.119 0.000 2.607 240 T HA -0.208 4.142 4.350 -0.001 0.000 0.267 240 T C 2.286 177.051 174.700 0.108 0.000 1.049 240 T CA 2.040 64.181 62.100 0.069 0.000 1.162 240 T CB -0.541 68.334 68.868 0.011 0.000 0.863 240 T HN 0.573 nan 8.240 nan 0.000 0.424 241 S N 0.484 116.348 115.700 0.275 0.000 2.359 241 S HA -0.176 4.294 4.470 -0.001 0.000 0.223 241 S C 2.390 177.071 174.600 0.134 0.000 1.039 241 S CA 1.966 60.320 58.200 0.257 0.000 1.042 241 S CB -0.638 62.741 63.200 0.298 0.000 0.915 241 S HN 0.460 nan 8.310 nan 0.000 0.439 242 S N 1.255 117.028 115.700 0.122 0.000 2.370 242 S HA -0.071 4.398 4.470 -0.001 0.000 0.226 242 S C 2.209 176.845 174.600 0.060 0.000 1.033 242 S CA 1.181 59.428 58.200 0.079 0.000 1.011 242 S CB -0.817 62.425 63.200 0.069 0.000 0.852 242 S HN 0.725 nan 8.310 nan 0.000 0.457 243 A N 1.610 124.474 122.820 0.074 0.000 1.865 243 A HA -0.127 4.193 4.320 -0.001 0.000 0.217 243 A C 2.066 179.729 177.584 0.131 0.000 1.191 243 A CA 1.597 53.692 52.037 0.097 0.000 0.623 243 A CB -0.902 18.173 19.000 0.126 0.000 0.826 243 A HN 0.488 nan 8.150 nan 0.000 0.444 244 I N -0.488 120.145 120.570 0.104 0.000 2.151 244 I HA -0.280 3.889 4.170 -0.001 0.000 0.243 244 I C 2.379 178.551 176.117 0.093 0.000 1.080 244 I CA 1.501 62.861 61.300 0.100 0.000 1.339 244 I CB -0.522 37.510 38.000 0.053 0.000 1.039 244 I HN 0.175 nan 8.210 nan 0.000 0.409 245 V N 0.820 120.771 119.914 0.061 0.000 2.287 245 V HA -0.292 3.827 4.120 -0.001 0.000 0.248 245 V C 2.567 178.673 176.094 0.019 0.000 1.053 245 V CA 1.764 64.087 62.300 0.038 0.000 1.027 245 V CB -0.666 31.175 31.823 0.029 0.000 0.646 245 V HN 0.366 nan 8.190 nan 0.000 0.447 246 K N -1.013 119.379 120.400 -0.014 0.000 2.057 246 K HA -0.165 4.155 4.320 -0.001 0.000 0.207 246 K C 2.074 178.603 176.600 -0.118 0.000 1.049 246 K CA 1.680 57.905 56.287 -0.102 0.000 0.931 246 K CB -0.507 31.872 32.500 -0.201 0.000 0.714 246 K HN 0.502 nan 8.250 nan 0.000 0.440 247 Y N 0.848 121.147 120.300 -0.002 0.000 2.337 247 Y HA -0.134 4.416 4.550 -0.001 0.000 0.293 247 Y C 2.239 178.137 175.900 -0.004 0.000 1.123 247 Y CA 0.600 58.697 58.100 -0.005 0.000 1.201 247 Y CB -0.368 38.090 38.460 -0.003 0.000 1.011 247 Y HN -0.120 nan 8.280 nan 0.000 0.545 248 V N -2.540 117.465 119.914 0.153 0.000 2.871 248 V HA -0.114 4.006 4.120 -0.001 0.000 0.256 248 V C 2.147 178.278 176.094 0.062 0.000 1.082 248 V CA 1.423 63.779 62.300 0.093 0.000 1.105 248 V CB -1.079 30.784 31.823 0.066 0.000 0.713 248 V HN 0.409 nan 8.190 nan 0.000 0.473 249 S N 0.714 116.440 115.700 0.043 0.000 2.474 249 S HA -0.148 4.322 4.470 -0.001 0.000 0.235 249 S C 1.508 176.114 174.600 0.009 0.000 0.997 249 S CA 1.241 59.450 58.200 0.014 0.000 0.949 249 S CB -0.591 62.604 63.200 -0.009 0.000 0.766 249 S HN 0.816 nan 8.310 nan 0.000 0.517 250 Q N 0.370 120.186 119.800 0.028 0.000 2.241 250 Q HA 0.414 4.754 4.340 -0.001 0.000 0.296 250 Q C -0.583 175.450 176.000 0.056 0.000 0.889 250 Q CA -0.446 55.372 55.803 0.024 0.000 1.089 250 Q CB 0.263 29.009 28.738 0.013 0.000 1.195 250 Q HN 0.422 nan 8.270 nan 0.000 0.451 251 R N 0.214 120.746 120.500 0.053 0.000 3.301 251 R HA -0.219 4.120 4.340 -0.001 0.000 0.249 251 R C -0.615 175.722 176.300 0.062 0.000 0.964 251 R CA 0.614 56.745 56.100 0.053 0.000 0.653 251 R CB -1.636 28.691 30.300 0.044 0.000 1.043 251 R HN 0.385 nan 8.270 nan 0.000 0.454 252 A N 0.040 122.907 122.820 0.079 0.000 2.324 252 A HA 0.716 5.036 4.320 -0.001 0.000 0.330 252 A C 0.732 178.330 177.584 0.023 0.000 1.165 252 A CA 0.053 52.121 52.037 0.050 0.000 0.813 252 A CB 1.218 20.251 19.000 0.054 0.000 1.197 252 A HN 0.304 nan 8.150 nan 0.000 0.484 253 G N 1.110 109.911 108.800 0.001 0.000 2.406 253 G HA2 0.475 4.434 3.960 -0.001 0.000 0.251 253 G HA3 0.475 4.434 3.960 -0.001 0.000 0.251 253 G C -0.188 174.694 174.900 -0.029 0.000 1.271 253 G CA -0.191 44.908 45.100 -0.001 0.000 0.859 253 G HN 0.505 nan 8.290 nan 0.000 0.540 254 I N 1.390 121.951 120.570 -0.014 0.000 2.412 254 I HA 0.509 4.679 4.170 -0.001 0.000 0.296 254 I C 0.640 176.751 176.117 -0.011 0.000 0.987 254 I CA -0.834 60.446 61.300 -0.033 0.000 1.180 254 I CB 1.316 39.302 38.000 -0.024 0.000 1.340 254 I HN 0.520 nan 8.210 nan 0.000 0.455 255 G N 6.848 115.643 108.800 -0.008 0.000 2.675 255 G HA2 0.709 4.669 3.960 -0.001 0.000 0.297 255 G HA3 0.709 4.669 3.960 -0.001 0.000 0.297 255 G C -0.846 174.087 174.900 0.056 0.000 1.399 255 G CA -0.273 44.886 45.100 0.099 0.000 0.981 255 G HN 0.437 nan 8.290 nan 0.000 0.519 256 I N 1.886 122.498 120.570 0.071 0.000 2.404 256 I HA 0.289 4.458 4.170 -0.001 0.000 0.293 256 I C -0.545 175.628 176.117 0.093 0.000 0.992 256 I CA -1.092 60.180 61.300 -0.047 0.000 1.149 256 I CB 2.341 40.190 38.000 -0.252 0.000 1.315 256 I HN 0.364 nan 8.210 nan 0.000 0.446 257 N N 5.117 123.841 118.700 0.041 0.000 2.501 257 N HA 0.472 5.211 4.740 -0.001 0.000 0.245 257 N C -0.207 175.375 175.510 0.121 0.000 0.974 257 N CA -0.390 52.746 53.050 0.144 0.000 0.941 257 N CB 1.596 40.129 38.487 0.077 0.000 1.122 257 N HN 0.717 nan 8.380 nan 0.000 0.507 258 A N 2.381 125.312 122.820 0.186 0.000 2.574 258 A HA 0.365 4.685 4.320 -0.001 0.000 0.283 258 A C 1.556 179.337 177.584 0.328 0.000 1.270 258 A CA -0.005 52.187 52.037 0.259 0.000 0.945 258 A CB -0.381 18.828 19.000 0.350 0.000 1.127 258 A HN 0.676 nan 8.150 nan 0.000 0.522 259 G N 0.917 109.922 108.800 0.341 0.000 2.432 259 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.219 259 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.219 259 G C 1.492 176.544 174.900 0.252 0.000 1.135 259 G CA 0.839 46.180 45.100 0.403 0.000 0.767 259 G HN 0.632 nan 8.290 nan 0.000 0.550 260 R N -0.295 120.201 120.500 -0.007 0.000 2.297 260 R HA 0.288 4.628 4.340 -0.001 0.000 0.197 260 R C 0.486 176.811 176.300 0.042 0.000 0.943 260 R CA -0.283 55.725 56.100 -0.152 0.000 1.038 260 R CB 0.031 30.111 30.300 -0.367 0.000 0.957 260 R HN 0.279 nan 8.270 nan 0.000 0.484 261 I N 4.404 125.065 120.570 0.152 0.000 2.752 261 I HA -0.098 4.072 4.170 -0.001 0.000 0.286 261 I C 0.940 177.156 176.117 0.165 0.000 1.180 261 I CA 0.098 61.492 61.300 0.157 0.000 1.404 261 I CB 0.064 38.215 38.000 0.253 0.000 1.389 261 I HN 0.240 nan 8.210 nan 0.000 0.549 262 R N 6.105 126.586 120.500 -0.032 0.000 2.811 262 R HA 0.393 4.733 4.340 -0.001 0.000 0.265 262 R C 0.022 176.188 176.300 -0.223 0.000 1.026 262 R CA -0.544 55.458 56.100 -0.164 0.000 1.142 262 R CB 0.281 30.415 30.300 -0.277 0.000 1.027 262 R HN 0.584 nan 8.270 nan 0.000 0.465 263 A N 2.367 125.095 122.820 -0.154 0.000 2.313 263 A HA 0.263 4.583 4.320 -0.001 0.000 0.261 263 A C -0.104 177.456 177.584 -0.039 0.000 1.090 263 A CA -0.780 51.240 52.037 -0.028 0.000 0.807 263 A CB 0.349 19.320 19.000 -0.048 0.000 1.055 263 A HN 0.703 nan 8.150 nan 0.000 0.492 264 L N 1.249 122.520 121.223 0.081 0.000 2.525 264 L HA 0.421 4.761 4.340 -0.001 0.000 0.278 264 L C 1.291 178.234 176.870 0.122 0.000 1.218 264 L CA 2.135 57.060 54.840 0.142 0.000 0.878 264 L CB -0.159 41.946 42.059 0.077 0.000 1.127 264 L HN 1.709 nan 8.230 nan 0.000 0.492 265 G N 2.441 111.358 108.800 0.195 0.000 2.268 265 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.240 265 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.240 265 G C 0.628 175.640 174.900 0.187 0.000 1.010 265 G CA 0.239 45.485 45.100 0.242 0.000 0.618 265 G HN 0.907 nan 8.290 nan 0.000 0.516 266 S N 3.590 119.330 115.700 0.067 0.000 2.558 266 S HA 0.416 4.886 4.470 -0.001 0.000 0.288 266 S C -1.591 172.923 174.600 -0.143 0.000 1.318 266 S CA -0.039 58.123 58.200 -0.062 0.000 1.056 266 S CB 1.030 64.165 63.200 -0.109 0.000 0.853 266 S HN 0.441 nan 8.310 nan 0.000 0.505 267 P HA 0.178 nan 4.420 nan 0.000 0.267 267 P C -0.790 176.406 177.300 -0.173 0.000 1.200 267 P CA 0.259 63.095 63.100 -0.441 0.000 0.772 267 P CB 0.217 31.697 31.700 -0.367 0.000 0.855 268 I N 2.920 123.416 120.570 -0.124 0.000 2.500 268 I HA 0.350 4.519 4.170 -0.001 0.000 0.286 268 I C 1.030 177.137 176.117 -0.016 0.000 1.063 268 I CA -0.621 60.672 61.300 -0.011 0.000 1.062 268 I CB 1.855 39.892 38.000 0.061 0.000 1.223 268 I HN 0.397 nan 8.210 nan 0.000 0.435 269 R N 4.333 124.825 120.500 -0.013 0.000 3.603 269 R HA -0.178 4.162 4.340 -0.001 0.000 0.479 269 R C 0.583 176.872 176.300 -0.019 0.000 0.745 269 R CA 1.580 57.676 56.100 -0.007 0.000 1.476 269 R CB -1.363 28.943 30.300 0.010 0.000 2.147 269 R HN 1.192 nan 8.270 nan 0.000 0.447 270 G N -3.314 105.458 108.800 -0.045 0.000 2.340 270 G HA2 0.100 4.059 3.960 -0.001 0.000 0.106 270 G HA3 0.100 4.059 3.960 -0.001 0.000 0.106 270 G C 0.532 175.382 174.900 -0.084 0.000 2.445 270 G CA 0.010 45.080 45.100 -0.050 0.000 1.363 270 G HN 0.961 nan 8.290 nan 0.000 0.412 271 G N -0.351 108.433 108.800 -0.027 0.000 4.162 271 G HA2 0.429 4.389 3.960 -0.001 0.000 0.252 271 G HA3 0.429 4.389 3.960 -0.001 0.000 0.252 271 G C 0.711 175.700 174.900 0.148 0.000 1.064 271 G CA 1.077 46.196 45.100 0.031 0.000 0.850 271 G HN 0.282 nan 8.290 nan 0.000 0.454 272 E N 0.850 121.100 120.200 0.084 0.000 2.208 272 E HA 0.254 4.604 4.350 -0.001 0.000 0.193 272 E C 1.035 177.716 176.600 0.133 0.000 0.988 272 E CA 0.950 57.405 56.400 0.092 0.000 0.828 272 E CB 0.505 30.235 29.700 0.051 0.000 0.763 272 E HN 0.497 nan 8.360 nan 0.000 0.478 273 A N 0.187 123.104 122.820 0.161 0.000 2.540 273 A HA 0.534 4.854 4.320 -0.001 0.000 0.297 273 A C -1.362 176.383 177.584 0.269 0.000 1.056 273 A CA -0.712 51.454 52.037 0.215 0.000 0.700 273 A CB 0.680 19.745 19.000 0.108 0.000 1.280 273 A HN -0.047 nan 8.150 nan 0.000 0.398 274 F N 1.047 121.011 119.950 0.023 0.000 2.399 274 F HA 0.466 4.993 4.527 -0.001 0.000 0.334 274 F C 0.973 176.811 175.800 0.063 0.000 1.097 274 F CA -0.294 57.736 58.000 0.049 0.000 1.076 274 F CB 1.100 40.120 39.000 0.034 0.000 1.162 274 F HN 0.785 nan 8.300 nan 0.000 0.495 275 H N 0.279 119.432 119.070 0.139 0.000 2.929 275 H HA 0.022 4.577 4.556 -0.001 0.000 0.358 275 H C 1.049 176.430 175.328 0.088 0.000 1.111 275 H CA 1.059 57.168 56.048 0.101 0.000 1.409 275 H CB 0.931 30.740 29.762 0.078 0.000 1.373 275 H HN 0.688 nan 8.280 nan 0.000 0.610 276 T N 2.010 116.449 114.554 -0.191 0.000 3.044 276 T HA 0.316 4.665 4.350 -0.001 0.000 0.250 276 T C 0.100 174.805 174.700 0.008 0.000 1.081 276 T CA 0.775 62.813 62.100 -0.103 0.000 1.040 276 T CB -0.401 68.319 68.868 -0.247 0.000 0.962 276 T HN 1.032 nan 8.240 nan 0.000 0.506 277 G N -0.606 108.371 108.800 0.295 0.000 2.423 277 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.684 277 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.684 277 G C 0.635 175.669 174.900 0.224 0.000 1.309 277 G CA -0.469 44.772 45.100 0.236 0.000 0.950 277 G HN 0.146 nan 8.290 nan 0.000 0.587 278 C N -0.066 119.262 119.300 0.047 0.000 2.492 278 C HA 0.169 4.629 4.460 -0.001 0.000 0.279 278 C C 2.973 177.791 174.990 -0.287 0.000 1.335 278 C CA 1.113 60.100 59.018 -0.051 0.000 1.734 278 C CB -1.497 26.013 27.740 -0.383 0.000 2.027 278 C HN 0.557 nan 8.230 nan 0.000 0.496 279 I N 2.137 122.484 120.570 -0.372 0.000 2.118 279 I HA -0.172 3.998 4.170 -0.001 0.000 0.241 279 I C -0.437 175.589 176.117 -0.152 0.000 1.070 279 I CA 1.882 62.996 61.300 -0.310 0.000 1.327 279 I CB -2.205 35.658 38.000 -0.228 0.000 1.034 279 I HN 0.187 nan 8.210 nan 0.000 0.405 280 P HA -0.203 nan 4.420 nan 0.000 0.218 280 P C 1.648 178.763 177.300 -0.308 0.000 1.154 280 P CA 1.849 64.758 63.100 -0.319 0.000 0.872 280 P CB -0.151 31.244 31.700 -0.509 0.000 0.790 281 F N -2.900 117.014 119.950 -0.060 0.000 2.163 281 F HA -0.121 4.407 4.527 0.000 0.000 0.297 281 F C 2.415 178.118 175.800 -0.162 0.000 1.094 281 F CA 0.963 58.867 58.000 -0.160 0.000 1.290 281 F CB -1.622 37.284 39.000 -0.157 0.000 1.017 281 F HN -0.113 nan 8.300 nan 0.000 0.483 282 Y N 0.727 121.057 120.300 0.050 0.000 2.128 282 Y HA -0.235 4.314 4.550 -0.001 0.000 0.284 282 Y C 2.367 178.354 175.900 0.144 0.000 1.154 282 Y CA 0.896 59.106 58.100 0.183 0.000 1.149 282 Y CB -1.305 37.303 38.460 0.246 0.000 0.976 282 Y HN 0.030 nan 8.280 nan 0.000 0.505 283 K N -1.108 119.439 120.400 0.246 0.000 2.103 283 K HA -0.236 4.084 4.320 -0.001 0.000 0.207 283 K C 2.028 178.728 176.600 0.168 0.000 1.048 283 K CA 1.650 58.038 56.287 0.169 0.000 0.930 283 K CB -0.295 32.256 32.500 0.085 0.000 0.716 283 K HN 0.306 nan 8.250 nan 0.000 0.444 284 H N -0.677 118.405 119.070 0.019 0.000 2.357 284 H HA -0.069 4.486 4.556 -0.001 0.000 0.301 284 H C 1.396 176.785 175.328 0.102 0.000 1.082 284 H CA 1.694 57.749 56.048 0.012 0.000 1.342 284 H CB -0.023 29.715 29.762 -0.040 0.000 1.389 284 H HN 0.078 nan 8.280 nan 0.000 0.511 285 F N 0.689 120.721 119.950 0.137 0.000 2.186 285 F HA -0.108 4.419 4.527 -0.001 0.000 0.299 285 F C 2.786 178.597 175.800 0.019 0.000 1.090 285 F CA 1.303 59.323 58.000 0.034 0.000 1.307 285 F CB -0.950 38.095 39.000 0.075 0.000 1.019 285 F HN 0.314 nan 8.300 nan 0.000 0.489 286 Q N 0.362 120.306 119.800 0.240 0.000 2.096 286 Q HA -0.208 4.131 4.340 -0.001 0.000 0.204 286 Q C 2.235 178.305 176.000 0.117 0.000 0.982 286 Q CA 2.624 58.529 55.803 0.170 0.000 0.850 286 Q CB -0.196 28.654 28.738 0.186 0.000 0.901 286 Q HN 0.529 nan 8.270 nan 0.000 0.422 287 T N -1.900 112.705 114.554 0.086 0.000 2.867 287 T HA -0.005 4.345 4.350 -0.001 0.000 0.268 287 T C 1.854 176.566 174.700 0.020 0.000 1.057 287 T CA 1.017 63.150 62.100 0.054 0.000 1.136 287 T CB -0.417 68.483 68.868 0.053 0.000 0.874 287 T HN 0.346 nan 8.240 nan 0.000 0.466 288 A N 1.472 124.281 122.820 -0.017 0.000 1.865 288 A HA 0.016 4.336 4.320 -0.001 0.000 0.217 288 A C 2.664 180.271 177.584 0.038 0.000 1.191 288 A CA 1.791 53.824 52.037 -0.006 0.000 0.623 288 A CB -1.286 17.722 19.000 0.013 0.000 0.826 288 A HN 0.399 nan 8.150 nan 0.000 0.444 289 V N -0.313 119.637 119.914 0.061 0.000 2.324 289 V HA -0.243 3.876 4.120 -0.001 0.000 0.250 289 V C 2.246 178.368 176.094 0.047 0.000 1.060 289 V CA 2.503 64.836 62.300 0.056 0.000 1.042 289 V CB -0.539 31.321 31.823 0.061 0.000 0.650 289 V HN 0.529 nan 8.190 nan 0.000 0.450 290 K N 0.172 120.601 120.400 0.048 0.000 2.387 290 K HA 0.074 4.394 4.320 -0.001 0.000 0.198 290 K C 1.956 178.574 176.600 0.030 0.000 1.022 290 K CA 0.591 56.899 56.287 0.035 0.000 1.128 290 K CB -0.018 32.504 32.500 0.036 0.000 0.853 290 K HN 0.604 nan 8.250 nan 0.000 0.523 291 S N -0.846 114.873 115.700 0.031 0.000 2.440 291 S HA -0.182 4.288 4.470 -0.001 0.000 0.240 291 S C 1.113 175.728 174.600 0.024 0.000 1.014 291 S CA 0.828 59.045 58.200 0.027 0.000 0.980 291 S CB -0.420 62.795 63.200 0.025 0.000 0.775 291 S HN 0.284 nan 8.310 nan 0.000 0.499 292 C N 2.312 121.626 119.300 0.023 0.000 2.808 292 C HA 0.680 5.140 4.460 -0.001 0.000 0.261 292 C C 0.243 175.244 174.990 0.018 0.000 1.574 292 C CA -0.983 58.047 59.018 0.019 0.000 1.611 292 C CB -1.306 26.446 27.740 0.019 0.000 2.726 292 C HN 0.397 nan 8.230 nan 0.000 0.528 293 S N 0.614 116.323 115.700 0.015 0.000 2.526 293 S HA 0.342 4.812 4.470 -0.001 0.000 0.293 293 S C -0.594 174.010 174.600 0.007 0.000 1.092 293 S CA -0.439 57.766 58.200 0.009 0.000 0.980 293 S CB 1.316 64.517 63.200 0.002 0.000 1.048 293 S HN 0.510 nan 8.310 nan 0.000 0.483 294 Q N 1.422 121.225 119.800 0.005 0.000 2.275 294 Q HA 0.129 4.468 4.340 -0.001 0.000 0.293 294 Q C 1.380 177.382 176.000 0.003 0.000 1.129 294 Q CA 1.496 57.302 55.803 0.005 0.000 0.971 294 Q CB 0.094 28.835 28.738 0.005 0.000 1.098 294 Q HN 1.174 nan 8.270 nan 0.000 0.386 295 G N 3.288 112.093 108.800 0.008 0.000 4.754 295 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.222 295 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.222 295 G C 0.550 175.458 174.900 0.013 0.000 1.377 295 G CA 0.313 45.420 45.100 0.011 0.000 0.942 295 G HN 1.248 nan 8.290 nan 0.000 0.671 296 G N -2.128 106.674 108.800 0.003 0.000 4.495 296 G HA2 0.479 4.439 3.960 -0.001 0.000 0.223 296 G HA3 0.479 4.439 3.960 -0.001 0.000 0.223 296 G C 0.318 175.190 174.900 -0.046 0.000 0.843 296 G CA 0.793 45.895 45.100 0.002 0.000 1.235 296 G HN 1.469 nan 8.290 nan 0.000 0.745 297 V N 0.138 120.017 119.914 -0.059 0.000 3.444 297 V HA 0.322 4.442 4.120 -0.001 0.000 0.210 297 V C 1.273 177.323 176.094 -0.073 0.000 1.217 297 V CA -0.049 62.185 62.300 -0.111 0.000 1.302 297 V CB -0.271 31.499 31.823 -0.088 0.000 1.341 297 V HN 0.215 nan 8.190 nan 0.000 0.522 298 R N 2.413 122.891 120.500 -0.036 0.000 3.716 298 R HA 0.251 4.591 4.340 -0.001 0.000 0.303 298 R C 0.627 176.925 176.300 -0.003 0.000 0.831 298 R CA 1.222 57.313 56.100 -0.014 0.000 0.969 298 R CB -1.531 28.767 30.300 -0.003 0.000 0.957 298 R HN 0.794 nan 8.270 nan 0.000 0.374 299 G N 0.432 109.232 108.800 0.000 0.000 2.685 299 G HA2 0.111 4.071 3.960 -0.001 0.000 0.387 299 G HA3 0.111 4.071 3.960 -0.001 0.000 0.387 299 G C 0.031 174.941 174.900 0.017 0.000 1.324 299 G CA -0.164 44.946 45.100 0.016 0.000 0.878 299 G HN 1.027 nan 8.290 nan 0.000 0.527 300 G N -1.670 107.148 108.800 0.029 0.000 3.115 300 G HA2 0.516 4.475 3.960 -0.001 0.000 0.291 300 G HA3 0.516 4.475 3.960 -0.001 0.000 0.291 300 G C 0.250 175.171 174.900 0.035 0.000 1.012 300 G CA 0.955 46.074 45.100 0.033 0.000 0.929 300 G HN 2.643 nan 8.290 nan 0.000 0.413 301 A N 1.419 124.263 122.820 0.039 0.000 2.356 301 A HA 1.196 5.515 4.320 -0.001 0.000 0.323 301 A C 0.362 177.962 177.584 0.028 0.000 1.119 301 A CA 0.232 52.295 52.037 0.044 0.000 0.790 301 A CB 1.994 21.032 19.000 0.064 0.000 1.273 301 A HN 2.657 nan 8.150 nan 0.000 0.452 302 A N 0.365 123.191 122.820 0.011 0.000 2.606 302 A HA 0.839 5.158 4.320 -0.001 0.000 0.293 302 A C -0.692 176.847 177.584 -0.076 0.000 1.082 302 A CA -0.447 51.576 52.037 -0.024 0.000 0.685 302 A CB 1.359 20.338 19.000 -0.035 0.000 1.284 302 A HN 1.000 nan 8.150 nan 0.000 0.408 303 T N 1.657 116.156 114.554 -0.092 0.000 2.949 303 T HA 0.498 4.848 4.350 -0.001 0.000 0.300 303 T C -0.856 173.660 174.700 -0.307 0.000 0.988 303 T CA -0.146 61.820 62.100 -0.225 0.000 0.993 303 T CB 0.832 69.636 68.868 -0.106 0.000 0.984 303 T HN 0.608 nan 8.240 nan 0.000 0.442 304 L N 3.670 124.614 121.223 -0.464 0.000 2.325 304 L HA 0.729 5.069 4.340 -0.001 0.000 0.279 304 L C -1.321 175.341 176.870 -0.347 0.000 1.054 304 L CA -0.626 54.053 54.840 -0.269 0.000 0.804 304 L CB 0.619 42.521 42.059 -0.262 0.000 1.200 304 L HN 0.534 nan 8.230 nan 0.000 0.436 305 F N 3.594 123.549 119.950 0.010 0.000 2.508 305 F HA 0.577 5.104 4.527 0.001 0.000 0.325 305 F C -0.634 175.229 175.800 0.104 0.000 1.090 305 F CA -0.432 57.562 58.000 -0.010 0.000 0.945 305 F CB 1.629 40.649 39.000 0.033 0.000 1.156 305 F HN 0.316 nan 8.300 nan 0.000 0.463 306 Y N 0.508 120.989 120.300 0.302 0.000 2.581 306 Y HA 0.708 5.257 4.550 -0.001 0.000 0.337 306 Y C -3.350 172.624 175.900 0.123 0.000 1.108 306 Y CA -3.769 54.458 58.100 0.211 0.000 1.033 306 Y CB 0.564 39.081 38.460 0.095 0.000 1.318 306 Y HN 0.217 nan 8.280 nan 0.000 0.459 307 P HA 0.098 nan 4.420 nan 0.000 0.272 307 P C 0.586 177.791 177.300 -0.160 0.000 1.223 307 P CA -0.302 62.657 63.100 -0.235 0.000 0.784 307 P CB 1.151 32.115 31.700 -1.225 0.000 0.923 308 M N 2.540 122.037 119.600 -0.171 0.000 2.296 308 M HA -0.048 4.431 4.480 -0.001 0.000 0.265 308 M C 1.062 177.358 176.300 -0.007 0.000 1.064 308 M CA 1.598 56.872 55.300 -0.044 0.000 1.109 308 M CB -0.246 32.303 32.600 -0.087 0.000 1.396 308 M HN 0.463 nan 8.290 nan 0.000 0.430 309 W N -0.619 120.704 121.300 0.039 0.000 3.256 309 W HA 0.121 4.781 4.660 -0.000 0.000 0.269 309 W C 0.290 176.897 176.519 0.146 0.000 1.310 309 W CA -0.444 56.962 57.345 0.101 0.000 1.673 309 W CB -1.477 28.089 29.460 0.177 0.000 1.115 309 W HN 0.099 nan 8.180 nan 0.000 0.686 310 H N 2.355 121.321 119.070 -0.174 0.000 3.038 310 H HA -0.113 4.443 4.556 -0.000 0.000 0.338 310 H C 1.094 176.450 175.328 0.046 0.000 1.041 310 H CA 0.868 56.870 56.048 -0.077 0.000 1.394 310 H CB 1.567 31.228 29.762 -0.169 0.000 1.357 310 H HN 0.067 nan 8.280 nan 0.000 0.600 311 L N 4.378 125.542 121.223 -0.098 0.000 2.079 311 L HA -0.172 4.168 4.340 -0.001 0.000 0.210 311 L C 1.650 178.571 176.870 0.085 0.000 1.081 311 L CA 1.870 56.712 54.840 0.004 0.000 0.752 311 L CB -0.293 41.728 42.059 -0.062 0.000 0.896 311 L HN 0.717 nan 8.230 nan 0.000 0.433 312 E N -1.337 119.014 120.200 0.251 0.000 2.403 312 E HA -0.043 4.307 4.350 -0.001 0.000 0.187 312 E C 1.976 178.518 176.600 -0.097 0.000 1.073 312 E CA 0.104 56.532 56.400 0.047 0.000 0.888 312 E CB 0.079 29.766 29.700 -0.020 0.000 1.035 312 E HN 0.363 nan 8.360 nan 0.000 0.471 313 V N 1.570 121.450 119.914 -0.056 0.000 2.282 313 V HA -0.349 3.771 4.120 -0.001 0.000 0.249 313 V C 1.767 177.773 176.094 -0.147 0.000 1.057 313 V CA 2.205 64.415 62.300 -0.151 0.000 1.032 313 V CB -0.056 31.755 31.823 -0.021 0.000 0.645 313 V HN 0.322 nan 8.190 nan 0.000 0.447 314 E N -0.308 119.837 120.200 -0.091 0.000 2.268 314 E HA -0.119 4.231 4.350 -0.001 0.000 0.195 314 E C 2.211 178.745 176.600 -0.110 0.000 0.995 314 E CA 1.319 57.670 56.400 -0.081 0.000 0.836 314 E CB -0.133 29.536 29.700 -0.052 0.000 0.763 314 E HN 0.665 nan 8.360 nan 0.000 0.491 315 S N 0.734 116.348 115.700 -0.143 0.000 2.439 315 S HA 0.039 4.509 4.470 -0.001 0.000 0.224 315 S C 1.996 176.456 174.600 -0.235 0.000 1.029 315 S CA 0.323 58.426 58.200 -0.162 0.000 0.946 315 S CB 0.033 63.139 63.200 -0.156 0.000 0.797 315 S HN 0.150 nan 8.310 nan 0.000 0.504 316 L N 0.780 121.803 121.223 -0.334 0.000 2.072 316 L HA -0.007 4.333 4.340 -0.001 0.000 0.205 316 L C 2.030 178.698 176.870 -0.338 0.000 1.079 316 L CA 0.582 55.137 54.840 -0.474 0.000 0.752 316 L CB -0.594 40.908 42.059 -0.927 0.000 0.906 316 L HN 0.244 nan 8.230 nan 0.000 0.436 317 L N 0.050 121.164 121.223 -0.183 0.000 2.187 317 L HA -0.128 4.211 4.340 -0.001 0.000 0.213 317 L C 1.995 178.809 176.870 -0.094 0.000 1.100 317 L CA 1.506 56.308 54.840 -0.063 0.000 0.765 317 L CB -0.630 41.413 42.059 -0.028 0.000 0.904 317 L HN 0.267 nan 8.230 nan 0.000 0.437 318 V N -5.084 114.758 119.914 -0.120 0.000 3.271 318 V HA 0.161 4.280 4.120 -0.001 0.000 0.327 318 V C 1.739 177.770 176.094 -0.104 0.000 1.389 318 V CA 0.011 62.258 62.300 -0.089 0.000 1.156 318 V CB -0.426 31.355 31.823 -0.069 0.000 1.103 318 V HN 0.208 nan 8.190 nan 0.000 0.453 319 L N 0.079 121.196 121.223 -0.176 0.000 2.187 319 L HA -0.065 4.275 4.340 -0.001 0.000 0.213 319 L C 2.498 179.352 176.870 -0.028 0.000 1.100 319 L CA 1.774 56.528 54.840 -0.143 0.000 0.765 319 L CB -0.269 41.614 42.059 -0.293 0.000 0.904 319 L HN 0.382 nan 8.230 nan 0.000 0.437 320 K N -1.053 119.352 120.400 0.008 0.000 2.356 320 K HA 0.004 4.323 4.320 -0.001 0.000 0.195 320 K C 0.648 177.250 176.600 0.003 0.000 1.037 320 K CA -0.302 56.010 56.287 0.042 0.000 1.014 320 K CB -0.079 32.473 32.500 0.086 0.000 0.815 320 K HN 0.093 nan 8.250 nan 0.000 0.507 321 N N 3.022 121.714 118.700 -0.014 0.000 2.301 321 N HA -0.111 4.629 4.740 -0.001 0.000 0.267 321 N C 0.565 176.063 175.510 -0.019 0.000 1.304 321 N CA 0.189 53.228 53.050 -0.017 0.000 0.851 321 N CB 0.420 38.891 38.487 -0.026 0.000 1.070 321 N HN 0.195 nan 8.380 nan 0.000 0.483 322 N N 3.930 122.622 118.700 -0.012 0.000 2.171 322 N HA -0.165 4.574 4.740 -0.001 0.000 0.184 322 N C 0.366 175.867 175.510 -0.015 0.000 1.021 322 N CA 0.975 54.017 53.050 -0.013 0.000 0.854 322 N CB -0.322 38.163 38.487 -0.003 0.000 0.994 322 N HN 0.456 nan 8.380 nan 0.000 0.426 323 R N 1.207 121.699 120.500 -0.013 0.000 2.488 323 R HA 0.321 4.660 4.340 -0.001 0.000 0.306 323 R C -0.449 175.840 176.300 -0.020 0.000 1.271 323 R CA 0.375 56.466 56.100 -0.014 0.000 1.022 323 R CB -0.806 29.486 30.300 -0.013 0.000 1.054 323 R HN 0.498 nan 8.270 nan 0.000 0.500 324 G N 0.819 109.606 108.800 -0.022 0.000 2.519 324 G HA2 0.080 4.039 3.960 -0.001 0.000 0.292 324 G HA3 0.080 4.039 3.960 -0.001 0.000 0.292 324 G C -1.310 173.574 174.900 -0.027 0.000 1.507 324 G CA -0.764 44.320 45.100 -0.027 0.000 0.806 324 G HN 0.318 nan 8.290 nan 0.000 0.523 325 V N 1.352 121.248 119.914 -0.029 0.000 2.599 325 V HA 0.188 4.308 4.120 -0.001 0.000 0.300 325 V C 1.786 177.861 176.094 -0.030 0.000 1.034 325 V CA 1.323 63.606 62.300 -0.028 0.000 1.115 325 V CB 1.364 33.168 31.823 -0.031 0.000 0.934 325 V HN 1.008 nan 8.190 nan 0.000 0.485 326 E N 4.807 124.992 120.200 -0.025 0.000 2.108 326 E HA -0.236 4.113 4.350 -0.001 0.000 0.203 326 E C 1.683 178.266 176.600 -0.027 0.000 1.022 326 E CA 2.139 58.525 56.400 -0.023 0.000 0.823 326 E CB -0.520 29.171 29.700 -0.015 0.000 0.744 326 E HN 0.989 nan 8.360 nan 0.000 0.456 327 G N 0.208 108.989 108.800 -0.032 0.000 2.498 327 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.219 327 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.219 327 G C 0.912 175.781 174.900 -0.051 0.000 1.119 327 G CA 0.666 45.742 45.100 -0.040 0.000 0.766 327 G HN 0.355 nan 8.290 nan 0.000 0.552 328 N N 0.089 118.758 118.700 -0.051 0.000 2.538 328 N HA 0.263 5.003 4.740 -0.001 0.000 0.291 328 N C -0.696 174.777 175.510 -0.062 0.000 1.323 328 N CA -0.368 52.643 53.050 -0.065 0.000 0.934 328 N CB 0.558 39.006 38.487 -0.064 0.000 1.255 328 N HN -0.097 nan 8.380 nan 0.000 0.509 329 R N 0.570 121.043 120.500 -0.045 0.000 2.535 329 R HA 0.349 4.689 4.340 -0.001 0.000 0.274 329 R C -1.302 174.999 176.300 0.002 0.000 1.090 329 R CA -0.592 55.487 56.100 -0.034 0.000 0.930 329 R CB 1.761 32.037 30.300 -0.040 0.000 1.223 329 R HN -0.156 nan 8.270 nan 0.000 0.441 330 V N 4.706 124.651 119.914 0.052 0.000 2.384 330 V HA 0.287 4.406 4.120 -0.001 0.000 0.257 330 V C 1.263 177.447 176.094 0.150 0.000 0.969 330 V CA -0.360 62.022 62.300 0.137 0.000 0.910 330 V CB 0.895 32.892 31.823 0.290 0.000 1.150 330 V HN 0.598 nan 8.190 nan 0.000 0.481 331 R N -0.059 120.419 120.500 -0.037 0.000 2.189 331 R HA -0.005 4.334 4.340 -0.001 0.000 0.223 331 R C 0.795 177.038 176.300 -0.096 0.000 1.092 331 R CA 0.802 56.837 56.100 -0.108 0.000 0.989 331 R CB 0.071 30.199 30.300 -0.285 0.000 0.876 331 R HN 0.620 nan 8.270 nan 0.000 0.457 332 H N -0.560 118.574 119.070 0.107 0.000 2.577 332 H HA 0.338 4.893 4.556 -0.001 0.000 0.306 332 H C -0.188 175.158 175.328 0.030 0.000 1.109 332 H CA 0.214 56.302 56.048 0.068 0.000 1.063 332 H CB -0.050 29.748 29.762 0.062 0.000 1.535 332 H HN 0.062 nan 8.280 nan 0.000 0.532 333 M N 0.472 120.116 119.600 0.074 0.000 2.421 333 M HA 0.196 4.675 4.480 -0.001 0.000 0.287 333 M C -1.044 175.023 176.300 -0.388 0.000 1.183 333 M CA -0.793 54.417 55.300 -0.148 0.000 0.916 333 M CB 2.979 35.437 32.600 -0.237 0.000 1.701 333 M HN -0.047 nan 8.290 nan 0.000 0.470 334 D N 1.210 121.381 120.400 -0.380 0.000 2.283 334 D HA 0.447 5.086 4.640 -0.001 0.000 0.248 334 D C -1.350 174.466 176.300 -0.807 0.000 1.072 334 D CA 0.331 54.073 54.000 -0.431 0.000 0.929 334 D CB 0.977 41.681 40.800 -0.159 0.000 1.182 334 D HN 0.295 nan 8.370 nan 0.000 0.433 335 Y N -0.913 119.193 120.300 -0.324 0.000 2.468 335 Y HA 0.534 5.083 4.550 -0.001 0.000 0.342 335 Y C 0.894 176.502 175.900 -0.487 0.000 1.021 335 Y CA -1.052 56.842 58.100 -0.344 0.000 1.079 335 Y CB 2.285 40.673 38.460 -0.120 0.000 1.226 335 Y HN 0.348 nan 8.280 nan 0.000 0.460 336 G N 1.554 110.019 108.800 -0.558 0.000 2.744 336 G HA2 0.499 4.459 3.960 -0.001 0.000 0.309 336 G HA3 0.499 4.459 3.960 -0.001 0.000 0.309 336 G C -1.417 173.285 174.900 -0.331 0.000 1.328 336 G CA -0.557 44.282 45.100 -0.435 0.000 1.034 336 G HN 0.457 nan 8.290 nan 0.000 0.518 337 V N 2.600 122.368 119.914 -0.243 0.000 2.508 337 V HA 0.156 4.276 4.120 -0.001 0.000 0.281 337 V C 0.306 176.390 176.094 -0.015 0.000 1.041 337 V CA -0.101 62.045 62.300 -0.257 0.000 1.016 337 V CB 0.966 32.710 31.823 -0.132 0.000 0.984 337 V HN 0.718 nan 8.190 nan 0.000 0.478 338 Q N 4.676 124.500 119.800 0.040 0.000 2.331 338 Q HA 0.627 4.966 4.340 -0.001 0.000 0.257 338 Q C -0.825 175.270 176.000 0.158 0.000 0.957 338 Q CA -0.152 55.736 55.803 0.142 0.000 0.923 338 Q CB 1.715 30.601 28.738 0.246 0.000 1.212 338 Q HN 0.657 nan 8.270 nan 0.000 0.443 339 I N 1.954 122.558 120.570 0.057 0.000 2.863 339 I HA 0.480 4.649 4.170 -0.001 0.000 0.311 339 I C -0.155 175.894 176.117 -0.115 0.000 1.026 339 I CA -0.949 60.335 61.300 -0.026 0.000 1.077 339 I CB 1.617 39.473 38.000 -0.239 0.000 1.262 339 I HN 0.643 nan 8.210 nan 0.000 0.461 340 N N 1.311 119.923 118.700 -0.147 0.000 2.774 340 N HA 0.317 5.057 4.740 -0.001 0.000 0.264 340 N C 0.106 175.534 175.510 -0.137 0.000 1.415 340 N CA -0.880 52.055 53.050 -0.192 0.000 0.815 340 N CB 0.904 39.159 38.487 -0.387 0.000 1.514 340 N HN 0.293 nan 8.380 nan 0.000 0.523 341 K N -0.484 119.872 120.400 -0.073 0.000 2.034 341 K HA -0.146 4.174 4.320 -0.001 0.000 0.214 341 K C 1.575 178.170 176.600 -0.008 0.000 1.051 341 K CA 1.356 57.615 56.287 -0.046 0.000 0.931 341 K CB -0.556 31.984 32.500 0.067 0.000 0.715 341 K HN 0.545 nan 8.250 nan 0.000 0.446 342 L N 1.606 122.833 121.223 0.007 0.000 2.013 342 L HA -0.232 4.108 4.340 -0.001 0.000 0.212 342 L C 2.303 179.196 176.870 0.038 0.000 1.073 342 L CA 1.826 56.695 54.840 0.049 0.000 0.753 342 L CB -0.675 41.446 42.059 0.103 0.000 0.890 342 L HN 0.196 nan 8.230 nan 0.000 0.432 343 M N -1.581 118.018 119.600 -0.002 0.000 2.073 343 M HA -0.271 4.209 4.480 -0.001 0.000 0.258 343 M C 2.446 178.783 176.300 0.063 0.000 1.070 343 M CA 1.897 57.230 55.300 0.055 0.000 1.103 343 M CB -1.585 31.019 32.600 0.007 0.000 1.321 343 M HN 0.246 nan 8.290 nan 0.000 0.405 344 Y N 1.078 121.386 120.300 0.013 0.000 2.165 344 Y HA -0.176 4.374 4.550 -0.001 0.000 0.286 344 Y C 2.843 178.634 175.900 -0.183 0.000 1.155 344 Y CA 1.809 59.786 58.100 -0.205 0.000 1.164 344 Y CB -1.611 36.638 38.460 -0.352 0.000 0.978 344 Y HN 0.308 nan 8.280 nan 0.000 0.513 345 T N 0.172 114.759 114.554 0.054 0.000 2.746 345 T HA -0.166 4.184 4.350 -0.001 0.000 0.267 345 T C 2.041 176.759 174.700 0.030 0.000 1.039 345 T CA 1.177 63.295 62.100 0.029 0.000 1.142 345 T CB -0.114 68.779 68.868 0.042 0.000 0.866 345 T HN 0.178 nan 8.240 nan 0.000 0.444 346 R N 0.821 121.358 120.500 0.061 0.000 2.094 346 R HA -0.072 4.267 4.340 -0.001 0.000 0.239 346 R C 2.403 178.728 176.300 0.041 0.000 1.137 346 R CA 1.107 57.257 56.100 0.083 0.000 0.943 346 R CB -1.419 28.969 30.300 0.147 0.000 0.850 346 R HN 0.355 nan 8.270 nan 0.000 0.433 347 L N 1.222 122.428 121.223 -0.028 0.000 1.971 347 L HA -0.173 4.166 4.340 -0.001 0.000 0.215 347 L C 2.295 179.110 176.870 -0.092 0.000 1.072 347 L CA 1.710 56.464 54.840 -0.142 0.000 0.758 347 L CB -0.717 41.000 42.059 -0.570 0.000 0.889 347 L HN 0.105 nan 8.230 nan 0.000 0.433 348 L N -0.547 120.626 121.223 -0.083 0.000 2.042 348 L HA -0.238 4.102 4.340 -0.001 0.000 0.210 348 L C 2.402 179.261 176.870 -0.018 0.000 1.076 348 L CA 1.654 56.465 54.840 -0.049 0.000 0.749 348 L CB -0.705 41.330 42.059 -0.039 0.000 0.893 348 L HN 0.232 nan 8.230 nan 0.000 0.432 349 K N 0.231 120.630 120.400 -0.002 0.000 2.525 349 K HA 0.079 4.399 4.320 -0.001 0.000 0.192 349 K C 1.063 177.673 176.600 0.016 0.000 1.029 349 K CA 0.546 56.840 56.287 0.011 0.000 1.029 349 K CB -0.049 32.464 32.500 0.023 0.000 0.814 349 K HN 0.426 nan 8.250 nan 0.000 0.503 350 G N 2.399 111.207 108.800 0.013 0.000 2.273 350 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.280 350 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.280 350 G C -0.298 174.622 174.900 0.034 0.000 1.047 350 G CA 0.478 45.591 45.100 0.021 0.000 0.869 350 G HN 0.418 nan 8.290 nan 0.000 0.502 351 E N -0.652 119.575 120.200 0.046 0.000 2.601 351 E HA 0.521 4.871 4.350 -0.001 0.000 0.250 351 E C -0.459 176.185 176.600 0.073 0.000 1.099 351 E CA -1.002 55.432 56.400 0.055 0.000 0.968 351 E CB 0.686 30.422 29.700 0.061 0.000 1.290 351 E HN 0.165 nan 8.360 nan 0.000 0.505 352 D N 0.011 120.456 120.400 0.075 0.000 2.332 352 D HA 0.437 5.077 4.640 -0.001 0.000 0.252 352 D C -0.718 175.658 176.300 0.125 0.000 1.050 352 D CA -0.268 53.780 54.000 0.081 0.000 0.970 352 D CB 1.064 41.891 40.800 0.045 0.000 1.141 352 D HN 0.177 nan 8.370 nan 0.000 0.485 353 I N 0.536 121.185 120.570 0.131 0.000 2.433 353 I HA 0.178 4.348 4.170 -0.001 0.000 0.292 353 I C -0.063 176.130 176.117 0.126 0.000 1.001 353 I CA -0.411 61.009 61.300 0.200 0.000 1.119 353 I CB 1.968 40.098 38.000 0.217 0.000 1.289 353 I HN 0.049 nan 8.210 nan 0.000 0.438 354 T N 7.091 121.726 114.554 0.135 0.000 2.806 354 T HA 0.511 4.860 4.350 -0.001 0.000 0.290 354 T C -0.101 174.500 174.700 -0.165 0.000 0.966 354 T CA -0.391 61.601 62.100 -0.180 0.000 1.060 354 T CB 0.476 69.032 68.868 -0.521 0.000 0.927 354 T HN 0.241 nan 8.240 nan 0.000 0.485 355 L N 3.651 124.716 121.223 -0.263 0.000 2.325 355 L HA 0.668 5.008 4.340 -0.001 0.000 0.279 355 L C -0.788 175.890 176.870 -0.321 0.000 1.054 355 L CA -0.684 54.105 54.840 -0.084 0.000 0.804 355 L CB 0.619 42.669 42.059 -0.015 0.000 1.200 355 L HN 0.536 nan 8.230 nan 0.000 0.436 356 F N -0.012 120.069 119.950 0.217 0.000 2.591 356 F HA 0.307 4.834 4.527 -0.000 0.000 0.309 356 F C 0.282 176.132 175.800 0.083 0.000 1.098 356 F CA -0.676 57.387 58.000 0.104 0.000 0.937 356 F CB 2.190 41.210 39.000 0.033 0.000 1.250 356 F HN 0.350 nan 8.300 nan 0.000 0.447 357 S N 3.466 119.246 115.700 0.133 0.000 2.548 357 S HA 0.277 4.747 4.470 -0.001 0.000 0.277 357 S C -1.698 172.951 174.600 0.082 0.000 1.315 357 S CA -1.174 56.978 58.200 -0.080 0.000 1.050 357 S CB 1.056 64.192 63.200 -0.107 0.000 0.918 357 S HN 0.375 nan 8.310 nan 0.000 0.497 358 P HA -0.124 nan 4.420 nan 0.000 0.216 358 P C 1.700 179.035 177.300 0.060 0.000 1.150 358 P CA 1.486 64.730 63.100 0.238 0.000 0.837 358 P CB -0.262 31.558 31.700 0.200 0.000 0.786 359 S N -0.730 114.960 115.700 -0.017 0.000 2.419 359 S HA -0.158 4.312 4.470 -0.001 0.000 0.235 359 S C 1.265 175.815 174.600 -0.083 0.000 1.019 359 S CA 1.411 59.579 58.200 -0.053 0.000 0.982 359 S CB -1.080 62.074 63.200 -0.076 0.000 0.789 359 S HN 0.091 nan 8.310 nan 0.000 0.490 360 D N 1.167 121.505 120.400 -0.104 0.000 2.363 360 D HA 0.193 4.833 4.640 -0.001 0.000 0.214 360 D C 0.074 176.154 176.300 -0.368 0.000 1.093 360 D CA 0.212 54.108 54.000 -0.173 0.000 0.837 360 D CB 0.962 41.694 40.800 -0.113 0.000 0.948 360 D HN 0.507 nan 8.370 nan 0.000 0.507 361 V N -1.109 118.555 119.914 -0.417 0.000 2.383 361 V HA 0.386 4.506 4.120 -0.001 0.000 0.264 361 V C -2.918 172.923 176.094 -0.422 0.000 1.001 361 V CA -2.306 59.485 62.300 -0.850 0.000 0.828 361 V CB 1.062 32.298 31.823 -0.979 0.000 1.069 361 V HN -0.283 nan 8.190 nan 0.000 0.451 362 P HA 0.202 nan 4.420 nan 0.000 0.260 362 P C 1.339 178.712 177.300 0.122 0.000 1.172 362 P CA 2.131 65.224 63.100 -0.012 0.000 0.760 362 P CB 0.680 32.397 31.700 0.028 0.000 0.773 363 G N 2.568 111.444 108.800 0.128 0.000 2.212 363 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.266 363 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.266 363 G C 0.895 175.918 174.900 0.206 0.000 0.978 363 G CA 0.261 45.460 45.100 0.164 0.000 0.632 363 G HN 0.515 nan 8.290 nan 0.000 0.537 364 L N -0.989 120.343 121.223 0.182 0.000 1.961 364 L HA -0.056 4.284 4.340 -0.001 0.000 0.210 364 L C 2.416 179.543 176.870 0.428 0.000 1.072 364 L CA 2.696 57.618 54.840 0.137 0.000 0.749 364 L CB -0.707 41.241 42.059 -0.184 0.000 0.889 364 L HN 0.425 nan 8.230 nan 0.000 0.432 365 Y N 1.348 121.908 120.300 0.434 0.000 2.040 365 Y HA -0.399 4.151 4.550 -0.001 0.000 0.275 365 Y C 2.425 178.719 175.900 0.656 0.000 1.171 365 Y CA 2.316 60.821 58.100 0.676 0.000 1.123 365 Y CB -0.330 38.480 38.460 0.583 0.000 0.963 365 Y HN 0.358 nan 8.280 nan 0.000 0.493 366 D N -0.007 120.762 120.400 0.613 0.000 2.103 366 D HA -0.267 4.372 4.640 -0.001 0.000 0.190 366 D C 2.347 178.882 176.300 0.392 0.000 0.997 366 D CA 1.697 55.974 54.000 0.461 0.000 0.833 366 D CB -1.087 39.903 40.800 0.316 0.000 0.961 366 D HN 0.488 nan 8.370 nan 0.000 0.447 367 A N 0.967 123.998 122.820 0.353 0.000 1.881 367 A HA -0.285 4.035 4.320 -0.001 0.000 0.219 367 A C 2.166 179.953 177.584 0.338 0.000 1.215 367 A CA 1.961 54.195 52.037 0.329 0.000 0.648 367 A CB -1.369 17.830 19.000 0.331 0.000 0.832 367 A HN 0.241 nan 8.150 nan 0.000 0.455 368 F N -0.203 119.867 119.950 0.200 0.000 2.063 368 F HA -0.295 4.231 4.527 -0.001 0.000 0.297 368 F C 1.908 177.415 175.800 -0.488 0.000 1.099 368 F CA 2.232 59.996 58.000 -0.393 0.000 1.220 368 F CB -0.749 38.018 39.000 -0.389 0.000 0.972 368 F HN 0.249 nan 8.300 nan 0.000 0.487 369 F N -0.784 119.080 119.950 -0.143 0.000 2.219 369 F HA 0.162 4.688 4.527 -0.001 0.000 0.294 369 F C 2.437 178.172 175.800 -0.108 0.000 1.086 369 F CA 0.950 58.809 58.000 -0.235 0.000 1.330 369 F CB -1.267 37.628 39.000 -0.175 0.000 1.047 369 F HN 0.001 nan 8.300 nan 0.000 0.495 370 A N -1.815 121.110 122.820 0.175 0.000 1.956 370 A HA 0.028 4.348 4.320 -0.001 0.000 0.212 370 A C 0.231 177.866 177.584 0.085 0.000 1.188 370 A CA 0.917 53.025 52.037 0.118 0.000 0.675 370 A CB -0.051 19.025 19.000 0.127 0.000 0.845 370 A HN 0.196 nan 8.150 nan 0.000 0.455 371 D N -1.134 119.326 120.400 0.101 0.000 2.575 371 D HA 0.292 4.932 4.640 -0.001 0.000 0.250 371 D C 0.270 176.640 176.300 0.117 0.000 1.279 371 D CA -0.356 53.700 54.000 0.092 0.000 0.925 371 D CB 1.225 42.081 40.800 0.095 0.000 1.261 371 D HN -0.031 nan 8.370 nan 0.000 0.567 372 Q N 1.937 121.785 119.800 0.081 0.000 2.123 372 Q HA -0.068 4.271 4.340 -0.001 0.000 0.199 372 Q C 1.322 177.413 176.000 0.152 0.000 0.966 372 Q CA 1.030 56.896 55.803 0.104 0.000 0.845 372 Q CB 0.292 29.059 28.738 0.048 0.000 0.907 372 Q HN 0.635 nan 8.270 nan 0.000 0.439 373 E N 0.834 121.094 120.200 0.100 0.000 2.038 373 E HA -0.219 4.131 4.350 -0.001 0.000 0.195 373 E C 1.927 178.573 176.600 0.077 0.000 1.000 373 E CA 1.249 57.696 56.400 0.078 0.000 0.803 373 E CB -0.041 29.688 29.700 0.047 0.000 0.750 373 E HN 0.317 nan 8.360 nan 0.000 0.448 374 E N 0.828 121.076 120.200 0.081 0.000 2.118 374 E HA -0.186 4.164 4.350 -0.001 0.000 0.195 374 E C 1.849 178.489 176.600 0.068 0.000 0.992 374 E CA 0.857 57.291 56.400 0.058 0.000 0.804 374 E CB -0.485 29.256 29.700 0.068 0.000 0.741 374 E HN 0.230 nan 8.360 nan 0.000 0.458 375 F N 1.355 121.314 119.950 0.016 0.000 2.069 375 F HA -0.177 4.349 4.527 -0.001 0.000 0.298 375 F C 2.296 178.098 175.800 0.002 0.000 1.113 375 F CA 2.329 60.338 58.000 0.015 0.000 1.214 375 F CB -0.502 38.524 39.000 0.043 0.000 0.978 375 F HN 0.155 nan 8.300 nan 0.000 0.474 376 E N 0.237 120.528 120.200 0.152 0.000 2.070 376 E HA -0.313 4.037 4.350 -0.001 0.000 0.197 376 E C 2.503 179.063 176.600 -0.065 0.000 1.004 376 E CA 1.657 58.092 56.400 0.058 0.000 0.805 376 E CB -0.341 29.431 29.700 0.121 0.000 0.744 376 E HN 0.453 nan 8.360 nan 0.000 0.451 377 R N 0.226 120.680 120.500 -0.077 0.000 2.088 377 R HA -0.185 4.154 4.340 -0.001 0.000 0.232 377 R C 2.541 178.685 176.300 -0.260 0.000 1.136 377 R CA 1.921 57.943 56.100 -0.130 0.000 0.926 377 R CB -0.526 29.711 30.300 -0.105 0.000 0.837 377 R HN 0.256 nan 8.270 nan 0.000 0.429 378 L N -0.302 120.721 121.223 -0.333 0.000 2.013 378 L HA -0.261 4.079 4.340 -0.001 0.000 0.212 378 L C 2.550 179.032 176.870 -0.647 0.000 1.073 378 L CA 1.703 56.193 54.840 -0.582 0.000 0.753 378 L CB -0.736 41.080 42.059 -0.405 0.000 0.890 378 L HN 0.314 nan 8.230 nan 0.000 0.432 379 Y N 1.128 121.006 120.300 -0.703 0.000 2.081 379 Y HA -0.357 4.192 4.550 -0.001 0.000 0.280 379 Y C 3.009 178.725 175.900 -0.305 0.000 1.163 379 Y CA 2.287 60.017 58.100 -0.617 0.000 1.135 379 Y CB -0.680 37.319 38.460 -0.770 0.000 0.970 379 Y HN 0.377 nan 8.280 nan 0.000 0.498 380 T N -1.668 112.781 114.554 -0.176 0.000 2.777 380 T HA -0.237 4.113 4.350 -0.001 0.000 0.266 380 T C 1.936 176.515 174.700 -0.202 0.000 1.040 380 T CA 1.572 63.584 62.100 -0.146 0.000 1.141 380 T CB -0.580 68.246 68.868 -0.071 0.000 0.868 380 T HN 0.378 nan 8.240 nan 0.000 0.444 381 K N 0.508 120.727 120.400 -0.301 0.000 2.000 381 K HA -0.239 4.080 4.320 -0.001 0.000 0.218 381 K C 2.107 178.550 176.600 -0.262 0.000 1.053 381 K CA 1.926 58.011 56.287 -0.336 0.000 0.946 381 K CB -0.653 31.537 32.500 -0.518 0.000 0.723 381 K HN 0.380 nan 8.250 nan 0.000 0.446 382 Y N 1.548 121.692 120.300 -0.261 0.000 2.333 382 Y HA -0.100 4.450 4.550 -0.001 0.000 0.290 382 Y C 2.139 178.003 175.900 -0.060 0.000 1.144 382 Y CA 1.162 59.097 58.100 -0.274 0.000 1.228 382 Y CB -0.497 37.556 38.460 -0.678 0.000 0.985 382 Y HN 0.319 nan 8.280 nan 0.000 0.542 383 E N 0.170 120.401 120.200 0.051 0.000 2.058 383 E HA -0.237 4.113 4.350 -0.001 0.000 0.194 383 E C 2.019 178.630 176.600 0.017 0.000 0.997 383 E CA 1.491 57.915 56.400 0.041 0.000 0.801 383 E CB -0.052 29.582 29.700 -0.111 0.000 0.746 383 E HN 0.301 nan 8.360 nan 0.000 0.450 384 K N 1.137 121.528 120.400 -0.014 0.000 1.985 384 K HA -0.106 4.214 4.320 -0.001 0.000 0.210 384 K C 0.664 177.270 176.600 0.011 0.000 1.047 384 K CA 0.806 57.085 56.287 -0.013 0.000 0.932 384 K CB -0.316 32.164 32.500 -0.033 0.000 0.716 384 K HN -0.003 nan 8.250 nan 0.000 0.439 385 D N 1.448 121.865 120.400 0.028 0.000 2.536 385 D HA -0.094 4.546 4.640 -0.001 0.000 0.260 385 D C -0.527 175.802 176.300 0.049 0.000 1.270 385 D CA 0.322 54.349 54.000 0.045 0.000 0.934 385 D CB 0.246 41.100 40.800 0.090 0.000 1.129 385 D HN 0.152 nan 8.370 nan 0.000 0.533 386 D N 1.186 121.601 120.400 0.025 0.000 2.348 386 D HA -0.128 4.511 4.640 -0.001 0.000 0.216 386 D C 1.885 178.195 176.300 0.015 0.000 0.970 386 D CA 0.770 54.780 54.000 0.017 0.000 0.889 386 D CB 0.163 40.967 40.800 0.006 0.000 0.912 386 D HN 0.374 nan 8.370 nan 0.000 0.524 387 S N 0.472 116.181 115.700 0.015 0.000 2.428 387 S HA -0.060 4.410 4.470 -0.001 0.000 0.230 387 S C 0.945 175.546 174.600 0.001 0.000 1.014 387 S CA -0.026 58.177 58.200 0.005 0.000 0.957 387 S CB -0.248 62.952 63.200 -0.000 0.000 0.784 387 S HN 0.058 nan 8.310 nan 0.000 0.499 388 I N 3.266 123.845 120.570 0.015 0.000 2.452 388 I HA 0.293 4.462 4.170 -0.001 0.000 0.287 388 I C 0.776 176.927 176.117 0.056 0.000 1.079 388 I CA -0.221 61.090 61.300 0.019 0.000 1.387 388 I CB -0.282 37.738 38.000 0.033 0.000 1.404 388 I HN 0.343 nan 8.210 nan 0.000 0.522 389 R N 7.418 127.937 120.500 0.032 0.000 2.640 389 R HA 0.175 4.514 4.340 -0.001 0.000 0.270 389 R C -0.230 176.083 176.300 0.021 0.000 1.024 389 R CA 0.461 56.572 56.100 0.018 0.000 1.085 389 R CB 0.576 30.879 30.300 0.005 0.000 0.963 389 R HN 0.910 nan 8.270 nan 0.000 0.426 390 K N 1.635 121.989 120.400 -0.077 0.000 2.672 390 K HA 0.261 4.580 4.320 -0.001 0.000 0.295 390 K C -1.718 174.754 176.600 -0.213 0.000 1.042 390 K CA -1.129 55.003 56.287 -0.259 0.000 0.869 390 K CB 1.335 33.566 32.500 -0.448 0.000 1.541 390 K HN 0.515 nan 8.250 nan 0.000 0.396 391 Q N 0.785 120.419 119.800 -0.276 0.000 2.340 391 Q HA 0.352 4.692 4.340 -0.001 0.000 0.276 391 Q C -1.333 174.564 176.000 -0.171 0.000 1.048 391 Q CA -0.963 54.740 55.803 -0.166 0.000 0.832 391 Q CB 2.171 30.845 28.738 -0.107 0.000 1.373 391 Q HN 0.521 nan 8.270 nan 0.000 0.409 392 R N 1.104 121.539 120.500 -0.108 0.000 2.474 392 R HA 0.627 4.966 4.340 -0.001 0.000 0.295 392 R C -0.466 175.815 176.300 -0.033 0.000 0.980 392 R CA -0.427 55.629 56.100 -0.073 0.000 0.934 392 R CB 1.461 31.728 30.300 -0.055 0.000 1.101 392 R HN 0.504 nan 8.270 nan 0.000 0.469 393 V N -1.309 118.604 119.914 -0.003 0.000 2.971 393 V HA 0.480 4.600 4.120 -0.001 0.000 0.309 393 V C -0.306 175.815 176.094 0.044 0.000 1.130 393 V CA -1.341 60.969 62.300 0.016 0.000 0.964 393 V CB 2.307 34.142 31.823 0.020 0.000 1.029 393 V HN 0.551 nan 8.190 nan 0.000 0.427 394 K N 2.016 122.444 120.400 0.047 0.000 2.383 394 K HA 0.578 4.898 4.320 -0.001 0.000 0.286 394 K C 1.418 178.082 176.600 0.107 0.000 1.051 394 K CA 0.546 56.873 56.287 0.066 0.000 0.974 394 K CB 1.332 33.863 32.500 0.051 0.000 0.968 394 K HN 1.008 nan 8.250 nan 0.000 0.475 395 A N 3.845 126.750 122.820 0.141 0.000 1.915 395 A HA -0.231 4.089 4.320 -0.001 0.000 0.220 395 A C 1.856 179.617 177.584 0.296 0.000 1.198 395 A CA 2.431 54.617 52.037 0.248 0.000 0.647 395 A CB -0.875 18.256 19.000 0.219 0.000 0.825 395 A HN 0.631 nan 8.150 nan 0.000 0.456 396 V N -1.003 119.010 119.914 0.166 0.000 2.332 396 V HA -0.316 3.804 4.120 -0.001 0.000 0.248 396 V C 2.182 178.367 176.094 0.150 0.000 1.055 396 V CA 2.347 64.732 62.300 0.142 0.000 1.038 396 V CB -1.303 30.565 31.823 0.075 0.000 0.651 396 V HN 0.638 nan 8.190 nan 0.000 0.450 397 E N 0.273 120.540 120.200 0.111 0.000 2.017 397 E HA -0.212 4.137 4.350 -0.001 0.000 0.193 397 E C 2.167 178.817 176.600 0.083 0.000 0.997 397 E CA 1.556 58.002 56.400 0.078 0.000 0.804 397 E CB -0.325 29.405 29.700 0.051 0.000 0.757 397 E HN 0.430 nan 8.360 nan 0.000 0.448 398 L N 0.395 121.669 121.223 0.086 0.000 1.970 398 L HA -0.197 4.143 4.340 -0.001 0.000 0.212 398 L C 2.141 179.003 176.870 -0.013 0.000 1.071 398 L CA 1.719 56.569 54.840 0.017 0.000 0.751 398 L CB -0.652 41.396 42.059 -0.019 0.000 0.889 398 L HN 0.070 nan 8.230 nan 0.000 0.432 399 F N -0.655 119.314 119.950 0.033 0.000 2.091 399 F HA -0.271 4.256 4.527 -0.001 0.000 0.299 399 F C 2.718 178.541 175.800 0.038 0.000 1.103 399 F CA 1.932 59.955 58.000 0.039 0.000 1.228 399 F CB -0.823 38.206 39.000 0.049 0.000 0.984 399 F HN 0.052 nan 8.300 nan 0.000 0.477 400 S N 0.004 115.830 115.700 0.210 0.000 2.368 400 S HA -0.182 4.288 4.470 -0.001 0.000 0.225 400 S C 1.937 176.575 174.600 0.064 0.000 1.030 400 S CA 1.094 59.363 58.200 0.116 0.000 0.999 400 S CB -0.575 62.674 63.200 0.082 0.000 0.844 400 S HN 0.239 nan 8.310 nan 0.000 0.459 401 L N 1.839 123.088 121.223 0.044 0.000 1.989 401 L HA -0.056 4.284 4.340 -0.001 0.000 0.211 401 L C 2.245 179.120 176.870 0.008 0.000 1.071 401 L CA 1.990 56.838 54.840 0.013 0.000 0.749 401 L CB -0.727 41.331 42.059 -0.003 0.000 0.890 401 L HN 0.365 nan 8.230 nan 0.000 0.431 402 M N -1.705 117.894 119.600 -0.002 0.000 2.080 402 M HA -0.267 4.212 4.480 -0.001 0.000 0.260 402 M C 2.055 178.374 176.300 0.033 0.000 1.068 402 M CA 2.001 57.300 55.300 -0.002 0.000 1.109 402 M CB -0.061 32.506 32.600 -0.055 0.000 1.342 402 M HN 0.298 nan 8.290 nan 0.000 0.405 403 M N -0.081 119.558 119.600 0.065 0.000 2.229 403 M HA -0.191 4.289 4.480 -0.001 0.000 0.264 403 M C 2.060 178.379 176.300 0.032 0.000 1.063 403 M CA 1.640 56.984 55.300 0.074 0.000 1.114 403 M CB -1.568 31.093 32.600 0.102 0.000 1.387 403 M HN 0.496 nan 8.290 nan 0.000 0.420 404 Q N 0.373 120.184 119.800 0.018 0.000 2.002 404 Q HA -0.194 4.146 4.340 -0.001 0.000 0.204 404 Q C 1.866 177.867 176.000 0.001 0.000 0.988 404 Q CA 1.480 57.282 55.803 -0.002 0.000 0.843 404 Q CB 0.134 28.871 28.738 -0.002 0.000 0.908 404 Q HN 0.369 nan 8.270 nan 0.000 0.420 405 E N 0.164 120.367 120.200 0.005 0.000 2.153 405 E HA -0.206 4.143 4.350 -0.001 0.000 0.194 405 E C 1.910 178.518 176.600 0.013 0.000 0.988 405 E CA 0.907 57.309 56.400 0.004 0.000 0.811 405 E CB -0.217 29.482 29.700 -0.003 0.000 0.746 405 E HN 0.327 nan 8.360 nan 0.000 0.466 406 R N 0.569 121.085 120.500 0.026 0.000 2.075 406 R HA -0.051 4.288 4.340 -0.001 0.000 0.232 406 R C 2.195 178.530 176.300 0.058 0.000 1.126 406 R CA 1.266 57.393 56.100 0.045 0.000 0.963 406 R CB -0.103 30.246 30.300 0.082 0.000 0.858 406 R HN 0.114 nan 8.270 nan 0.000 0.435 407 A N 0.448 123.289 122.820 0.036 0.000 1.898 407 A HA -0.147 4.173 4.320 -0.001 0.000 0.216 407 A C 2.173 179.770 177.584 0.021 0.000 1.181 407 A CA 1.828 53.877 52.037 0.021 0.000 0.620 407 A CB -0.557 18.419 19.000 -0.039 0.000 0.819 407 A HN 0.578 nan 8.150 nan 0.000 0.442 408 S N -0.201 115.505 115.700 0.010 0.000 2.345 408 S HA -0.162 4.307 4.470 -0.001 0.000 0.219 408 S C 2.057 176.669 174.600 0.020 0.000 1.031 408 S CA 1.920 60.125 58.200 0.009 0.000 0.984 408 S CB -1.259 61.942 63.200 0.002 0.000 0.874 408 S HN 0.815 nan 8.310 nan 0.000 0.451 409 T N -1.959 112.610 114.554 0.024 0.000 3.035 409 T HA 0.413 4.762 4.350 -0.001 0.000 0.259 409 T C 1.800 176.527 174.700 0.046 0.000 1.078 409 T CA 1.216 63.334 62.100 0.031 0.000 1.132 409 T CB -0.520 68.365 68.868 0.028 0.000 0.900 409 T HN 1.142 nan 8.240 nan 0.000 0.480 410 G N 1.985 110.822 108.800 0.062 0.000 2.199 410 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.254 410 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.254 410 G C 0.827 175.824 174.900 0.162 0.000 0.982 410 G CA 0.192 45.363 45.100 0.119 0.000 0.632 410 G HN 0.587 nan 8.290 nan 0.000 0.529 411 R N -0.120 120.379 120.500 -0.002 0.000 2.652 411 R HA 0.394 4.733 4.340 -0.001 0.000 0.372 411 R C 0.034 175.920 176.300 -0.691 0.000 1.104 411 R CA -0.259 55.656 56.100 -0.310 0.000 1.072 411 R CB 0.426 30.651 30.300 -0.126 0.000 1.367 411 R HN 0.356 nan 8.270 nan 0.000 0.577 412 I N 2.431 122.778 120.570 -0.371 0.000 2.337 412 I HA 0.253 4.422 4.170 -0.001 0.000 0.285 412 I C -0.276 175.744 176.117 -0.162 0.000 1.041 412 I CA -1.553 59.585 61.300 -0.271 0.000 1.199 412 I CB -0.139 37.825 38.000 -0.059 0.000 1.370 412 I HN -0.053 nan 8.210 nan 0.000 0.470 413 Y N 6.009 126.328 120.300 0.033 0.000 2.316 413 Y HA 0.521 5.071 4.550 0.000 0.000 0.324 413 Y C 0.427 176.367 175.900 0.068 0.000 1.267 413 Y CA -1.208 56.932 58.100 0.066 0.000 1.311 413 Y CB 0.744 39.246 38.460 0.070 0.000 1.267 413 Y HN 0.300 nan 8.280 nan 0.000 0.516 414 I N 1.198 121.956 120.570 0.313 0.000 2.493 414 I HA 0.321 4.490 4.170 -0.001 0.000 0.298 414 I C -0.560 175.716 176.117 0.265 0.000 0.998 414 I CA -0.599 60.848 61.300 0.246 0.000 1.137 414 I CB 1.787 39.949 38.000 0.270 0.000 1.310 414 I HN 0.546 nan 8.210 nan 0.000 0.445 415 Q N 5.361 125.303 119.800 0.237 0.000 2.309 415 Q HA 0.393 4.732 4.340 -0.001 0.000 0.270 415 Q C -1.368 174.726 176.000 0.157 0.000 1.023 415 Q CA -0.746 55.188 55.803 0.218 0.000 0.758 415 Q CB 1.119 30.003 28.738 0.244 0.000 1.247 415 Q HN 0.508 nan 8.270 nan 0.000 0.455 416 N N 4.284 123.088 118.700 0.173 0.000 2.508 416 N HA 0.027 4.767 4.740 -0.001 0.000 0.253 416 N C 1.082 176.606 175.510 0.023 0.000 1.145 416 N CA 0.119 53.253 53.050 0.140 0.000 0.973 416 N CB 1.419 40.035 38.487 0.215 0.000 1.305 416 N HN 0.605 nan 8.380 nan 0.000 0.506 417 V N -0.195 119.642 119.914 -0.127 0.000 2.626 417 V HA -0.188 3.931 4.120 -0.001 0.000 0.252 417 V C 1.611 177.607 176.094 -0.164 0.000 1.067 417 V CA 1.499 63.689 62.300 -0.183 0.000 1.081 417 V CB -0.334 31.175 31.823 -0.524 0.000 0.686 417 V HN 0.374 nan 8.190 nan 0.000 0.468 418 D N 0.099 120.377 120.400 -0.203 0.000 2.084 418 D HA -0.252 4.387 4.640 -0.001 0.000 0.196 418 D C 1.966 178.309 176.300 0.071 0.000 0.985 418 D CA 2.157 56.101 54.000 -0.093 0.000 0.826 418 D CB -0.978 39.779 40.800 -0.072 0.000 0.978 418 D HN 0.511 nan 8.370 nan 0.000 0.456 419 H N 0.007 119.091 119.070 0.023 0.000 2.390 419 H HA -0.030 4.526 4.556 -0.001 0.000 0.298 419 H C 2.346 177.691 175.328 0.029 0.000 1.106 419 H CA 0.747 56.794 56.048 -0.002 0.000 1.297 419 H CB -0.986 28.750 29.762 -0.043 0.000 1.375 419 H HN 0.295 nan 8.280 nan 0.000 0.509 420 C N 0.576 119.963 119.300 0.145 0.000 2.419 420 C HA -0.046 4.414 4.460 -0.001 0.000 0.283 420 C C 2.286 177.317 174.990 0.068 0.000 1.373 420 C CA 0.726 59.795 59.018 0.085 0.000 1.781 420 C CB -0.500 27.274 27.740 0.056 0.000 1.886 420 C HN 0.599 nan 8.230 nan 0.000 0.520 421 N N -0.536 118.205 118.700 0.070 0.000 2.397 421 N HA -0.041 4.699 4.740 -0.001 0.000 0.190 421 N C 1.838 177.382 175.510 0.058 0.000 1.099 421 N CA 1.393 54.481 53.050 0.063 0.000 0.876 421 N CB -0.227 38.297 38.487 0.061 0.000 1.143 421 N HN 0.636 nan 8.380 nan 0.000 0.468 422 T N -1.996 112.601 114.554 0.072 0.000 3.023 422 T HA -0.081 4.268 4.350 -0.001 0.000 0.266 422 T C 0.806 175.554 174.700 0.081 0.000 1.093 422 T CA 1.060 63.197 62.100 0.061 0.000 1.129 422 T CB -0.194 68.713 68.868 0.064 0.000 0.899 422 T HN 0.106 nan 8.240 nan 0.000 0.491 423 H N 1.206 120.257 119.070 -0.032 0.000 2.336 423 H HA 0.625 5.180 4.556 -0.001 0.000 0.230 423 H C -0.501 174.799 175.328 -0.047 0.000 1.426 423 H CA -0.732 55.276 56.048 -0.068 0.000 1.359 423 H CB 0.063 29.766 29.762 -0.098 0.000 1.555 423 H HN 0.381 nan 8.280 nan 0.000 0.512 424 S N 1.355 116.956 115.700 -0.165 0.000 2.661 424 S HA 0.452 4.921 4.470 -0.001 0.000 0.285 424 S C -2.317 172.140 174.600 -0.238 0.000 1.138 424 S CA -1.393 56.702 58.200 -0.176 0.000 0.855 424 S CB 2.069 65.277 63.200 0.013 0.000 1.136 424 S HN 0.163 nan 8.310 nan 0.000 0.484 425 P HA 0.220 nan 4.420 nan 0.000 0.236 425 P C -0.245 176.707 177.300 -0.580 0.000 1.177 425 P CA 0.487 63.265 63.100 -0.537 0.000 0.773 425 P CB -0.190 31.224 31.700 -0.477 0.000 0.878 426 F N 0.315 120.227 119.950 -0.064 0.000 2.450 426 F HA 0.356 4.883 4.527 -0.001 0.000 0.328 426 F C 1.027 176.793 175.800 -0.057 0.000 1.068 426 F CA -1.050 56.923 58.000 -0.044 0.000 1.007 426 F CB 0.341 39.329 39.000 -0.021 0.000 1.251 426 F HN -0.304 nan 8.300 nan 0.000 0.492 427 D N 2.502 123.008 120.400 0.178 0.000 2.347 427 D HA 0.220 4.859 4.640 -0.001 0.000 0.235 427 D C -1.891 174.456 176.300 0.079 0.000 1.149 427 D CA -2.276 51.770 54.000 0.077 0.000 0.850 427 D CB 1.534 42.359 40.800 0.041 0.000 1.061 427 D HN 0.059 nan 8.370 nan 0.000 0.487 428 P HA -0.168 nan 4.420 nan 0.000 0.216 428 P C 1.006 178.333 177.300 0.045 0.000 1.153 428 P CA 1.492 64.626 63.100 0.056 0.000 0.858 428 P CB 0.189 31.924 31.700 0.057 0.000 0.789 429 A N -1.093 121.749 122.820 0.038 0.000 1.933 429 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 429 A C 2.159 179.751 177.584 0.013 0.000 1.175 429 A CA 1.584 53.639 52.037 0.031 0.000 0.628 429 A CB -1.384 17.630 19.000 0.023 0.000 0.814 429 A HN 0.179 nan 8.150 nan 0.000 0.444 430 I N -2.117 118.455 120.570 0.005 0.000 2.628 430 I HA 0.202 4.371 4.170 -0.001 0.000 0.255 430 I C 1.127 177.217 176.117 -0.046 0.000 1.119 430 I CA 0.895 62.181 61.300 -0.023 0.000 1.448 430 I CB 0.165 38.152 38.000 -0.021 0.000 1.133 430 I HN 0.240 nan 8.210 nan 0.000 0.438 431 A N 2.269 125.071 122.820 -0.030 0.000 3.156 431 A HA 0.477 4.797 4.320 -0.001 0.000 0.311 431 A C -2.709 174.801 177.584 -0.123 0.000 1.129 431 A CA -0.975 50.999 52.037 -0.105 0.000 0.809 431 A CB -0.189 18.734 19.000 -0.129 0.000 1.257 431 A HN -0.093 nan 8.150 nan 0.000 0.491 432 P HA 0.340 nan 4.420 nan 0.000 0.274 432 P C -0.302 176.898 177.300 -0.167 0.000 1.256 432 P CA -0.134 62.922 63.100 -0.073 0.000 0.795 432 P CB 1.374 33.051 31.700 -0.039 0.000 1.038 433 V N 3.005 122.845 119.914 -0.122 0.000 2.334 433 V HA 0.289 4.409 4.120 -0.001 0.000 0.281 433 V C 1.028 176.974 176.094 -0.248 0.000 1.016 433 V CA -0.179 62.016 62.300 -0.175 0.000 0.832 433 V CB 0.614 32.392 31.823 -0.075 0.000 0.999 433 V HN 0.488 nan 8.190 nan 0.000 0.439 434 R N 3.968 124.189 120.500 -0.464 0.000 2.662 434 R HA 0.392 4.731 4.340 -0.001 0.000 0.396 434 R C 0.100 176.107 176.300 -0.489 0.000 1.096 434 R CA -0.217 55.347 56.100 -0.893 0.000 1.081 434 R CB 0.568 29.985 30.300 -1.471 0.000 1.382 434 R HN 0.859 nan 8.270 nan 0.000 0.580 435 Q N -2.072 117.479 119.800 -0.415 0.000 3.052 435 Q HA 0.309 4.649 4.340 -0.001 0.000 0.309 435 Q C -1.651 173.907 176.000 -0.737 0.000 0.876 435 Q CA -0.748 54.620 55.803 -0.725 0.000 0.796 435 Q CB 0.891 29.241 28.738 -0.647 0.000 1.564 435 Q HN 0.011 nan 8.270 nan 0.000 0.469 436 S N -0.191 114.786 115.700 -1.204 0.000 2.971 436 S HA 0.649 5.119 4.470 -0.001 0.000 0.320 436 S C -1.090 173.350 174.600 -0.267 0.000 1.111 436 S CA 0.018 57.920 58.200 -0.496 0.000 0.870 436 S CB 1.149 64.231 63.200 -0.197 0.000 1.331 436 S HN 0.854 nan 8.310 nan 0.000 0.635 437 N N 0.425 119.105 118.700 -0.033 0.000 2.879 437 N HA 0.258 4.998 4.740 -0.001 0.000 0.329 437 N C 0.981 176.563 175.510 0.119 0.000 1.337 437 N CA -0.619 52.450 53.050 0.031 0.000 0.844 437 N CB -0.634 37.823 38.487 -0.050 0.000 1.236 437 N HN 0.478 nan 8.380 nan 0.000 0.601 438 L N 0.449 121.697 121.223 0.042 0.000 1.978 438 L HA -0.096 4.243 4.340 -0.001 0.000 0.218 438 L C 1.571 178.401 176.870 -0.067 0.000 1.075 438 L CA 1.893 56.753 54.840 0.033 0.000 0.767 438 L CB -0.689 41.379 42.059 0.015 0.000 0.890 438 L HN 0.731 nan 8.230 nan 0.000 0.434 439 C N 0.458 119.612 119.300 -0.243 0.000 2.559 439 C HA 0.311 4.771 4.460 -0.001 0.000 0.300 439 C C 1.095 175.560 174.990 -0.874 0.000 1.288 439 C CA -0.933 57.645 59.018 -0.733 0.000 1.699 439 C CB -1.406 25.987 27.740 -0.578 0.000 1.819 439 C HN 0.558 nan 8.230 nan 0.000 0.600 440 L N 2.078 123.056 121.223 -0.408 0.000 3.839 440 L HA -0.196 4.144 4.340 -0.001 0.000 0.416 440 L C 1.775 178.522 176.870 -0.206 0.000 1.195 440 L CA 1.687 56.388 54.840 -0.231 0.000 0.946 440 L CB -1.564 40.331 42.059 -0.273 0.000 1.891 440 L HN 0.676 nan 8.230 nan 0.000 0.963 441 E N -1.100 118.980 120.200 -0.200 0.000 2.434 441 E HA 0.075 4.425 4.350 -0.001 0.000 0.207 441 E C 0.894 177.443 176.600 -0.085 0.000 0.929 441 E CA -0.140 56.179 56.400 -0.135 0.000 1.001 441 E CB 0.518 30.131 29.700 -0.145 0.000 1.016 441 E HN 0.400 nan 8.360 nan 0.000 0.502 442 I N 2.394 122.912 120.570 -0.087 0.000 2.519 442 I HA 0.392 4.561 4.170 -0.001 0.000 0.287 442 I C 0.077 176.151 176.117 -0.072 0.000 1.047 442 I CA -0.528 60.733 61.300 -0.064 0.000 1.381 442 I CB 0.997 38.955 38.000 -0.070 0.000 1.417 442 I HN 0.133 nan 8.210 nan 0.000 0.540 443 A N 8.188 130.986 122.820 -0.036 0.000 2.651 443 A HA 0.762 5.081 4.320 -0.001 0.000 0.290 443 A C -0.881 176.706 177.584 0.006 0.000 1.185 443 A CA -0.407 51.606 52.037 -0.040 0.000 0.746 443 A CB 0.640 19.631 19.000 -0.014 0.000 1.213 443 A HN 0.604 nan 8.150 nan 0.000 0.429 444 L N 1.733 122.905 121.223 -0.085 0.000 2.415 444 L HA 0.611 4.951 4.340 -0.001 0.000 0.256 444 L C -2.664 174.034 176.870 -0.285 0.000 1.010 444 L CA -2.504 52.243 54.840 -0.155 0.000 0.826 444 L CB 2.745 44.752 42.059 -0.085 0.000 1.405 444 L HN 0.322 nan 8.230 nan 0.000 0.410 445 P HA 0.281 nan 4.420 nan 0.000 0.271 445 P C -1.033 176.141 177.300 -0.211 0.000 1.218 445 P CA -0.203 62.671 63.100 -0.377 0.000 0.780 445 P CB 0.869 32.276 31.700 -0.488 0.000 0.901 446 T N -0.986 113.467 114.554 -0.167 0.000 2.923 446 T HA 0.636 4.985 4.350 -0.001 0.000 0.311 446 T C -0.969 173.684 174.700 -0.078 0.000 1.183 446 T CA -1.041 60.995 62.100 -0.106 0.000 1.020 446 T CB 1.740 70.536 68.868 -0.121 0.000 1.165 446 T HN 0.191 nan 8.240 nan 0.000 0.482 447 K N 1.740 122.117 120.400 -0.038 0.000 2.427 447 K HA 0.590 4.909 4.320 -0.001 0.000 0.252 447 K C -2.951 173.643 176.600 -0.010 0.000 0.931 447 K CA -2.401 53.870 56.287 -0.025 0.000 0.793 447 K CB 2.325 34.815 32.500 -0.018 0.000 1.211 447 K HN 0.364 nan 8.250 nan 0.000 0.426 448 P HA 0.051 nan 4.420 nan 0.000 0.269 448 P C -0.825 176.481 177.300 0.011 0.000 1.209 448 P CA -0.398 62.703 63.100 0.001 0.000 0.776 448 P CB 0.480 32.182 31.700 0.003 0.000 0.876 449 L N 3.134 124.368 121.223 0.019 0.000 2.399 449 L HA 0.319 4.659 4.340 -0.001 0.000 0.265 449 L C 1.551 178.437 176.870 0.027 0.000 1.089 449 L CA 0.467 55.323 54.840 0.027 0.000 0.802 449 L CB 0.087 42.168 42.059 0.037 0.000 1.180 449 L HN 0.284 nan 8.230 nan 0.000 0.454 450 N N 0.675 119.391 118.700 0.026 0.000 2.187 450 N HA 0.135 4.874 4.740 -0.001 0.000 0.212 450 N C -0.974 174.553 175.510 0.030 0.000 1.152 450 N CA 0.126 53.191 53.050 0.025 0.000 0.872 450 N CB 0.571 39.069 38.487 0.019 0.000 1.025 450 N HN 0.755 nan 8.380 nan 0.000 0.514 451 D N -2.274 118.146 120.400 0.034 0.000 2.783 451 D HA 0.031 4.670 4.640 -0.001 0.000 0.253 451 D C 1.068 177.391 176.300 0.039 0.000 1.206 451 D CA -0.565 53.457 54.000 0.036 0.000 0.740 451 D CB 0.732 41.550 40.800 0.029 0.000 1.313 451 D HN -0.236 nan 8.370 nan 0.000 0.427 452 V N 1.331 121.269 119.914 0.039 0.000 2.282 452 V HA -0.164 3.956 4.120 -0.001 0.000 0.249 452 V C 1.381 177.494 176.094 0.031 0.000 1.057 452 V CA 1.736 64.058 62.300 0.037 0.000 1.032 452 V CB -0.721 31.119 31.823 0.028 0.000 0.645 452 V HN 0.655 nan 8.190 nan 0.000 0.447 453 N N 0.511 119.226 118.700 0.025 0.000 2.313 453 N HA 0.045 4.785 4.740 -0.001 0.000 0.207 453 N C 0.304 175.830 175.510 0.026 0.000 1.141 453 N CA 0.061 53.125 53.050 0.023 0.000 0.830 453 N CB -0.238 38.259 38.487 0.016 0.000 1.008 453 N HN 0.556 nan 8.380 nan 0.000 0.481 454 D N 2.010 122.427 120.400 0.029 0.000 2.520 454 D HA -0.081 4.559 4.640 -0.001 0.000 0.243 454 D C 0.938 177.258 176.300 0.033 0.000 1.160 454 D CA 0.408 54.425 54.000 0.029 0.000 0.877 454 D CB 0.832 41.649 40.800 0.029 0.000 1.150 454 D HN 0.056 nan 8.370 nan 0.000 0.494 455 E N 3.014 123.234 120.200 0.032 0.000 2.481 455 E HA -0.060 4.290 4.350 -0.001 0.000 0.195 455 E C 0.546 177.177 176.600 0.051 0.000 1.047 455 E CA 0.344 56.769 56.400 0.040 0.000 0.867 455 E CB -0.065 29.656 29.700 0.035 0.000 0.858 455 E HN 0.576 nan 8.360 nan 0.000 0.513 456 N N 0.210 118.933 118.700 0.038 0.000 2.280 456 N HA 0.068 4.807 4.740 -0.001 0.000 0.192 456 N C 0.600 176.129 175.510 0.032 0.000 1.109 456 N CA 0.020 53.088 53.050 0.031 0.000 0.855 456 N CB 0.868 39.362 38.487 0.010 0.000 0.974 456 N HN -0.006 nan 8.380 nan 0.000 0.482 457 G N 0.207 109.032 108.800 0.042 0.000 2.562 457 G HA2 0.327 4.287 3.960 -0.001 0.000 0.275 457 G HA3 0.327 4.287 3.960 -0.001 0.000 0.275 457 G C -0.794 174.144 174.900 0.064 0.000 1.196 457 G CA -0.230 44.894 45.100 0.040 0.000 0.908 457 G HN 0.121 nan 8.290 nan 0.000 0.524 458 E N -0.173 120.058 120.200 0.051 0.000 2.274 458 E HA 0.412 4.762 4.350 -0.001 0.000 0.269 458 E C -1.196 175.420 176.600 0.027 0.000 0.891 458 E CA -0.552 55.889 56.400 0.068 0.000 0.784 458 E CB 1.711 31.473 29.700 0.103 0.000 1.225 458 E HN 0.331 nan 8.360 nan 0.000 0.412 459 I N 3.185 123.772 120.570 0.028 0.000 2.378 459 I HA 0.475 4.645 4.170 -0.001 0.000 0.291 459 I C 0.097 176.201 176.117 -0.023 0.000 0.992 459 I CA -0.611 60.691 61.300 0.004 0.000 1.154 459 I CB 1.734 39.764 38.000 0.051 0.000 1.315 459 I HN 0.568 nan 8.210 nan 0.000 0.448 460 A N 7.497 130.281 122.820 -0.061 0.000 2.302 460 A HA 0.813 5.133 4.320 -0.001 0.000 0.285 460 A C -0.566 176.971 177.584 -0.079 0.000 1.105 460 A CA -0.255 51.742 52.037 -0.066 0.000 0.816 460 A CB 0.659 19.606 19.000 -0.088 0.000 1.067 460 A HN 0.696 nan 8.150 nan 0.000 0.489 461 L N -0.189 121.005 121.223 -0.048 0.000 2.283 461 L HA 0.482 4.822 4.340 -0.001 0.000 0.259 461 L C -1.009 175.841 176.870 -0.033 0.000 1.027 461 L CA -0.850 53.959 54.840 -0.052 0.000 0.828 461 L CB 2.295 44.368 42.059 0.024 0.000 1.380 461 L HN 0.704 nan 8.230 nan 0.000 0.425 462 c N 0.216 118.796 118.600 -0.034 0.000 2.271 462 c HA 0.477 5.047 4.570 -0.001 0.000 0.323 462 c C 0.253 174.345 174.090 0.003 0.000 1.245 462 c CA -0.665 55.652 56.329 -0.020 0.000 1.548 462 c CB 0.290 42.781 42.510 -0.032 0.000 2.214 462 c HN 0.608 nan 8.230 nan 0.000 0.477 463 T N 5.382 119.943 114.554 0.011 0.000 2.929 463 T HA 0.480 4.830 4.350 -0.001 0.000 0.331 463 T C 0.022 174.721 174.700 -0.002 0.000 1.120 463 T CA -0.021 62.089 62.100 0.016 0.000 0.973 463 T CB -0.018 68.866 68.868 0.026 0.000 1.036 463 T HN 0.436 nan 8.240 nan 0.000 0.502 464 L N 1.348 122.568 121.223 -0.005 0.000 2.298 464 L HA 0.912 5.252 4.340 -0.001 0.000 0.268 464 L C 0.450 177.305 176.870 -0.024 0.000 1.010 464 L CA -0.894 53.934 54.840 -0.019 0.000 0.812 464 L CB 1.825 43.876 42.059 -0.014 0.000 1.331 464 L HN 0.491 nan 8.230 nan 0.000 0.450 465 S N -0.995 114.673 115.700 -0.054 0.000 2.656 465 S HA 0.829 5.298 4.470 -0.001 0.000 0.265 465 S C -2.027 172.480 174.600 -0.154 0.000 1.132 465 S CA -0.065 58.090 58.200 -0.075 0.000 0.819 465 S CB 1.831 64.979 63.200 -0.086 0.000 1.119 465 S HN 0.934 nan 8.310 nan 0.000 0.476 466 A N 0.880 123.580 122.820 -0.200 0.000 2.594 466 A HA 0.714 5.034 4.320 -0.001 0.000 0.296 466 A C -2.037 175.402 177.584 -0.243 0.000 1.061 466 A CA -0.606 51.274 52.037 -0.262 0.000 0.689 466 A CB 0.505 19.466 19.000 -0.066 0.000 1.280 466 A HN 0.480 nan 8.150 nan 0.000 0.406 467 F N 1.667 121.630 119.950 0.021 0.000 2.396 467 F HA 0.413 4.939 4.527 -0.000 0.000 0.343 467 F C 0.937 176.746 175.800 0.014 0.000 1.104 467 F CA -0.800 57.198 58.000 -0.003 0.000 1.161 467 F CB 1.013 39.984 39.000 -0.048 0.000 1.146 467 F HN 0.585 nan 8.300 nan 0.000 0.522 468 N N 3.713 122.549 118.700 0.227 0.000 2.439 468 N HA 0.142 4.882 4.740 -0.001 0.000 0.243 468 N C 0.549 176.147 175.510 0.147 0.000 1.088 468 N CA 0.032 53.188 53.050 0.176 0.000 0.940 468 N CB 0.460 39.051 38.487 0.175 0.000 1.180 468 N HN 0.680 nan 8.380 nan 0.000 0.505 469 L N 2.042 123.326 121.223 0.102 0.000 2.456 469 L HA 0.059 4.398 4.340 -0.001 0.000 0.224 469 L C 2.000 179.001 176.870 0.220 0.000 1.148 469 L CA 0.797 55.624 54.840 -0.021 0.000 0.825 469 L CB -0.064 41.758 42.059 -0.395 0.000 0.937 469 L HN 0.559 nan 8.230 nan 0.000 0.450 470 G N -0.733 108.267 108.800 0.333 0.000 2.777 470 G HA2 0.093 4.052 3.960 -0.001 0.000 0.211 470 G HA3 0.093 4.052 3.960 -0.001 0.000 0.211 470 G C 1.375 176.492 174.900 0.361 0.000 1.149 470 G CA 0.610 46.022 45.100 0.519 0.000 0.785 470 G HN 0.407 nan 8.290 nan 0.000 0.536 471 A N 0.162 123.121 122.820 0.231 0.000 2.390 471 A HA 0.566 4.886 4.320 -0.001 0.000 0.232 471 A C 0.907 178.547 177.584 0.094 0.000 1.233 471 A CA -0.315 51.817 52.037 0.159 0.000 0.907 471 A CB -0.178 18.910 19.000 0.147 0.000 0.967 471 A HN 0.485 nan 8.150 nan 0.000 0.512 472 I N -4.274 116.352 120.570 0.093 0.000 2.577 472 I HA 0.440 4.609 4.170 -0.001 0.000 0.305 472 I C 0.288 176.444 176.117 0.065 0.000 0.986 472 I CA -0.889 60.434 61.300 0.038 0.000 1.189 472 I CB 1.204 39.199 38.000 -0.007 0.000 1.355 472 I HN -0.061 nan 8.210 nan 0.000 0.476 473 N N 2.604 121.321 118.700 0.027 0.000 2.439 473 N HA 0.037 4.776 4.740 -0.001 0.000 0.176 473 N C -0.329 175.206 175.510 0.041 0.000 1.029 473 N CA 0.460 53.527 53.050 0.029 0.000 0.886 473 N CB 0.173 38.657 38.487 -0.005 0.000 1.057 473 N HN 0.817 nan 8.380 nan 0.000 0.437 474 N N -0.963 117.751 118.700 0.024 0.000 2.509 474 N HA 0.301 5.040 4.740 -0.001 0.000 0.280 474 N C 0.192 175.720 175.510 0.029 0.000 1.306 474 N CA -0.682 52.390 53.050 0.037 0.000 0.782 474 N CB 1.361 39.857 38.487 0.015 0.000 1.493 474 N HN -0.252 nan 8.380 nan 0.000 0.498 475 L N -0.471 120.786 121.223 0.058 0.000 2.465 475 L HA -0.008 4.331 4.340 -0.001 0.000 0.224 475 L C 0.599 177.533 176.870 0.107 0.000 1.145 475 L CA 0.757 55.637 54.840 0.065 0.000 0.834 475 L CB -0.348 41.775 42.059 0.107 0.000 0.944 475 L HN 0.670 nan 8.230 nan 0.000 0.451 476 D N 0.168 120.618 120.400 0.084 0.000 2.363 476 D HA -0.101 4.539 4.640 -0.001 0.000 0.220 476 D C 1.728 177.904 176.300 -0.206 0.000 0.994 476 D CA 0.589 54.602 54.000 0.021 0.000 0.890 476 D CB 0.175 41.019 40.800 0.073 0.000 0.906 476 D HN 0.458 nan 8.370 nan 0.000 0.530 477 E N 0.182 120.281 120.200 -0.169 0.000 2.347 477 E HA -0.025 4.324 4.350 -0.001 0.000 0.196 477 E C 1.945 178.349 176.600 -0.326 0.000 1.008 477 E CA 0.139 56.413 56.400 -0.211 0.000 0.852 477 E CB 0.116 29.731 29.700 -0.143 0.000 0.783 477 E HN 0.312 nan 8.360 nan 0.000 0.505 478 L N 1.075 122.060 121.223 -0.396 0.000 2.275 478 L HA -0.143 4.197 4.340 -0.001 0.000 0.215 478 L C 2.572 179.055 176.870 -0.645 0.000 1.119 478 L CA 0.859 55.374 54.840 -0.541 0.000 0.790 478 L CB -0.253 41.569 42.059 -0.395 0.000 0.919 478 L HN 0.166 nan 8.230 nan 0.000 0.443 479 E N 0.578 120.155 120.200 -1.038 0.000 2.051 479 E HA -0.249 4.101 4.350 -0.001 0.000 0.192 479 E C 1.920 178.279 176.600 -0.402 0.000 0.991 479 E CA 1.651 57.478 56.400 -0.956 0.000 0.799 479 E CB 0.127 29.174 29.700 -1.089 0.000 0.748 479 E HN 0.492 nan 8.360 nan 0.000 0.449 480 E N 0.993 121.004 120.200 -0.315 0.000 2.076 480 E HA -0.157 4.193 4.350 -0.001 0.000 0.190 480 E C 2.481 179.019 176.600 -0.105 0.000 0.979 480 E CA 0.601 56.899 56.400 -0.169 0.000 0.807 480 E CB -0.582 29.028 29.700 -0.151 0.000 0.761 480 E HN 0.399 nan 8.360 nan 0.000 0.454 481 L N 0.984 122.108 121.223 -0.164 0.000 2.042 481 L HA -0.150 4.189 4.340 -0.001 0.000 0.210 481 L C 2.699 179.634 176.870 0.108 0.000 1.076 481 L CA 1.388 56.189 54.840 -0.066 0.000 0.749 481 L CB -0.626 41.299 42.059 -0.223 0.000 0.893 481 L HN 0.149 nan 8.230 nan 0.000 0.432 482 A N 0.206 123.008 122.820 -0.029 0.000 1.898 482 A HA -0.161 4.159 4.320 -0.001 0.000 0.216 482 A C 2.190 179.869 177.584 0.158 0.000 1.181 482 A CA 1.244 53.397 52.037 0.193 0.000 0.620 482 A CB -0.570 18.480 19.000 0.084 0.000 0.819 482 A HN 0.304 nan 8.150 nan 0.000 0.442 483 I N -0.380 120.234 120.570 0.074 0.000 2.087 483 I HA -0.299 3.870 4.170 -0.001 0.000 0.240 483 I C 2.295 178.529 176.117 0.196 0.000 1.054 483 I CA 1.191 62.557 61.300 0.110 0.000 1.311 483 I CB -0.349 37.706 38.000 0.092 0.000 1.024 483 I HN 0.223 nan 8.210 nan 0.000 0.402 484 L N 0.518 121.884 121.223 0.238 0.000 2.012 484 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 484 L C 2.749 179.871 176.870 0.419 0.000 1.073 484 L CA 2.306 57.378 54.840 0.387 0.000 0.748 484 L CB -1.942 40.365 42.059 0.414 0.000 0.891 484 L HN 0.278 nan 8.230 nan 0.000 0.431 485 A N -0.776 122.259 122.820 0.358 0.000 1.877 485 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 485 A C 2.445 180.116 177.584 0.145 0.000 1.186 485 A CA 1.964 54.171 52.037 0.282 0.000 0.620 485 A CB -0.883 18.235 19.000 0.196 0.000 0.822 485 A HN 0.221 nan 8.150 nan 0.000 0.443 486 V N -0.285 119.705 119.914 0.126 0.000 2.295 486 V HA -0.261 3.859 4.120 -0.001 0.000 0.246 486 V C 2.638 178.734 176.094 0.004 0.000 1.049 486 V CA 2.336 64.666 62.300 0.050 0.000 1.024 486 V CB -0.821 31.030 31.823 0.047 0.000 0.648 486 V HN 0.515 nan 8.190 nan 0.000 0.447 487 R N -0.110 120.411 120.500 0.036 0.000 2.096 487 R HA -0.091 4.249 4.340 -0.001 0.000 0.235 487 R C 2.372 178.489 176.300 -0.305 0.000 1.127 487 R CA 1.489 57.566 56.100 -0.038 0.000 0.968 487 R CB -0.539 29.813 30.300 0.087 0.000 0.861 487 R HN 0.555 nan 8.270 nan 0.000 0.440 488 A N 0.551 123.160 122.820 -0.352 0.000 1.897 488 A HA -0.077 4.243 4.320 -0.001 0.000 0.215 488 A C 2.068 179.397 177.584 -0.424 0.000 1.181 488 A CA 0.969 52.580 52.037 -0.711 0.000 0.620 488 A CB -0.395 18.161 19.000 -0.741 0.000 0.821 488 A HN 0.182 nan 8.150 nan 0.000 0.443 489 L N -0.817 120.282 121.223 -0.206 0.000 2.056 489 L HA -0.164 4.175 4.340 -0.001 0.000 0.207 489 L C 2.366 179.165 176.870 -0.117 0.000 1.078 489 L CA 1.718 56.478 54.840 -0.132 0.000 0.749 489 L CB -0.659 41.364 42.059 -0.061 0.000 0.901 489 L HN 0.390 nan 8.230 nan 0.000 0.433 490 D N 0.164 120.496 120.400 -0.114 0.000 2.123 490 D HA -0.204 4.436 4.640 -0.001 0.000 0.196 490 D C 2.146 178.382 176.300 -0.106 0.000 0.992 490 D CA 1.455 55.402 54.000 -0.089 0.000 0.833 490 D CB 0.166 40.918 40.800 -0.079 0.000 0.954 490 D HN 0.277 nan 8.370 nan 0.000 0.455 491 A N -0.051 122.653 122.820 -0.193 0.000 1.877 491 A HA -0.120 4.200 4.320 -0.001 0.000 0.216 491 A C 2.131 179.653 177.584 -0.104 0.000 1.186 491 A CA 1.377 53.302 52.037 -0.187 0.000 0.620 491 A CB -0.973 17.795 19.000 -0.387 0.000 0.822 491 A HN 0.373 nan 8.150 nan 0.000 0.443 492 L N 0.163 121.290 121.223 -0.159 0.000 1.990 492 L HA -0.209 4.130 4.340 -0.001 0.000 0.213 492 L C 2.334 179.248 176.870 0.074 0.000 1.072 492 L CA 1.972 56.767 54.840 -0.074 0.000 0.755 492 L CB -0.680 41.291 42.059 -0.147 0.000 0.889 492 L HN 0.446 nan 8.230 nan 0.000 0.432 493 L N -0.506 120.752 121.223 0.059 0.000 2.064 493 L HA -0.310 4.030 4.340 -0.001 0.000 0.216 493 L C 2.192 179.177 176.870 0.192 0.000 1.077 493 L CA 1.837 56.766 54.840 0.148 0.000 0.766 493 L CB -1.005 41.102 42.059 0.079 0.000 0.890 493 L HN 0.391 nan 8.230 nan 0.000 0.435 494 D N -1.691 118.773 120.400 0.107 0.000 2.234 494 D HA -0.158 4.482 4.640 -0.001 0.000 0.205 494 D C 1.910 178.274 176.300 0.106 0.000 0.962 494 D CA 0.793 54.850 54.000 0.095 0.000 0.855 494 D CB -0.109 40.708 40.800 0.028 0.000 0.951 494 D HN 0.314 nan 8.370 nan 0.000 0.500 495 Y N 2.120 122.419 120.300 -0.002 0.000 2.145 495 Y HA -0.163 4.387 4.550 -0.001 0.000 0.286 495 Y C 1.381 177.318 175.900 0.062 0.000 1.145 495 Y CA 1.158 59.256 58.100 -0.004 0.000 1.148 495 Y CB -0.009 38.421 38.460 -0.050 0.000 0.981 495 Y HN -0.013 nan 8.280 nan 0.000 0.507 496 Q N 0.707 120.622 119.800 0.191 0.000 2.318 496 Q HA 0.210 4.550 4.340 -0.001 0.000 0.222 496 Q C -1.029 174.835 176.000 -0.227 0.000 1.003 496 Q CA -0.733 55.114 55.803 0.073 0.000 0.936 496 Q CB 0.830 29.658 28.738 0.150 0.000 1.204 496 Q HN 0.118 nan 8.270 nan 0.000 0.524 497 D N 0.087 120.289 120.400 -0.330 0.000 2.229 497 D HA 0.301 4.940 4.640 -0.001 0.000 0.249 497 D C -1.356 174.617 176.300 -0.546 0.000 1.027 497 D CA -0.193 53.615 54.000 -0.320 0.000 0.923 497 D CB 0.755 41.429 40.800 -0.210 0.000 1.174 497 D HN 0.411 nan 8.370 nan 0.000 0.443 498 Y N 1.116 121.402 120.300 -0.024 0.000 2.345 498 Y HA 0.249 4.798 4.550 -0.001 0.000 0.331 498 Y C -1.190 174.676 175.900 -0.057 0.000 0.959 498 Y CA -1.520 56.577 58.100 -0.004 0.000 1.204 498 Y CB 1.611 40.081 38.460 0.017 0.000 1.135 498 Y HN 0.236 nan 8.280 nan 0.000 0.477 499 P HA -0.008 nan 4.420 nan 0.000 0.221 499 P C -0.118 177.122 177.300 -0.099 0.000 1.150 499 P CA 1.250 64.259 63.100 -0.151 0.000 0.800 499 P CB 1.047 32.531 31.700 -0.360 0.000 0.787 500 I N -0.166 120.390 120.570 -0.024 0.000 2.466 500 I HA 0.244 4.413 4.170 -0.001 0.000 0.289 500 I C -1.689 174.476 176.117 0.080 0.000 1.026 500 I CA -2.748 58.567 61.300 0.026 0.000 1.078 500 I CB 2.449 40.480 38.000 0.051 0.000 1.249 500 I HN -0.336 nan 8.210 nan 0.000 0.429 501 P HA -0.333 nan 4.420 nan 0.000 0.218 501 P C 1.489 178.807 177.300 0.031 0.000 1.165 501 P CA 2.070 65.191 63.100 0.034 0.000 0.922 501 P CB 0.155 31.872 31.700 0.028 0.000 0.794 502 A N -0.616 122.236 122.820 0.053 0.000 1.948 502 A HA -0.214 4.106 4.320 -0.001 0.000 0.220 502 A C 2.333 179.947 177.584 0.050 0.000 1.177 502 A CA 2.542 54.614 52.037 0.058 0.000 0.636 502 A CB -1.589 17.452 19.000 0.068 0.000 0.815 502 A HN 0.258 nan 8.150 nan 0.000 0.449 503 A N -0.569 122.312 122.820 0.101 0.000 1.897 503 A HA -0.101 4.218 4.320 -0.001 0.000 0.215 503 A C 2.102 179.650 177.584 -0.059 0.000 1.181 503 A CA 1.933 54.052 52.037 0.137 0.000 0.620 503 A CB -0.436 18.795 19.000 0.384 0.000 0.821 503 A HN 0.539 nan 8.150 nan 0.000 0.443 504 K N -0.482 119.793 120.400 -0.207 0.000 2.009 504 K HA -0.175 4.145 4.320 -0.001 0.000 0.210 504 K C 2.353 178.680 176.600 -0.456 0.000 1.049 504 K CA 1.419 57.279 56.287 -0.712 0.000 0.929 504 K CB -0.203 32.030 32.500 -0.444 0.000 0.714 504 K HN 0.309 nan 8.250 nan 0.000 0.440 505 R N -0.529 119.835 120.500 -0.226 0.000 2.136 505 R HA -0.191 4.149 4.340 -0.001 0.000 0.242 505 R C 2.363 178.441 176.300 -0.371 0.000 1.131 505 R CA 2.054 58.050 56.100 -0.174 0.000 0.937 505 R CB -0.995 29.337 30.300 0.054 0.000 0.863 505 R HN 0.495 nan 8.270 nan 0.000 0.435 506 G N -0.186 108.474 108.800 -0.233 0.000 2.403 506 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.216 506 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.216 506 G C 1.554 176.260 174.900 -0.323 0.000 1.154 506 G CA 0.793 45.739 45.100 -0.256 0.000 0.784 506 G HN 0.461 nan 8.290 nan 0.000 0.538 507 A N 1.009 123.649 122.820 -0.301 0.000 1.851 507 A HA -0.025 4.294 4.320 -0.001 0.000 0.216 507 A C 2.445 179.843 177.584 -0.309 0.000 1.195 507 A CA 2.150 54.034 52.037 -0.254 0.000 0.622 507 A CB -0.366 18.447 19.000 -0.312 0.000 0.831 507 A HN 0.286 nan 8.150 nan 0.000 0.444 508 M N -0.502 118.845 119.600 -0.422 0.000 2.175 508 M HA -0.044 4.436 4.480 -0.001 0.000 0.264 508 M C 2.346 178.329 176.300 -0.528 0.000 1.063 508 M CA 1.351 56.423 55.300 -0.380 0.000 1.119 508 M CB -1.960 30.436 32.600 -0.340 0.000 1.377 508 M HN 0.477 nan 8.290 nan 0.000 0.415 509 G N 1.543 109.785 108.800 -0.930 0.000 2.545 509 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.217 509 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.217 509 G C 1.712 176.131 174.900 -0.801 0.000 1.218 509 G CA 0.853 44.889 45.100 -1.773 0.000 0.787 509 G HN 0.523 nan 8.290 nan 0.000 0.571 510 R N -0.934 119.317 120.500 -0.415 0.000 2.335 510 R HA 0.305 4.645 4.340 -0.001 0.000 0.210 510 R C 0.558 176.860 176.300 0.003 0.000 0.892 510 R CA -0.286 55.804 56.100 -0.017 0.000 1.048 510 R CB 0.398 30.806 30.300 0.179 0.000 1.067 510 R HN 0.150 nan 8.270 nan 0.000 0.524 511 R N 2.185 122.636 120.500 -0.083 0.000 3.301 511 R HA -0.117 4.223 4.340 -0.001 0.000 0.249 511 R C -0.652 175.656 176.300 0.013 0.000 0.964 511 R CA 1.132 57.208 56.100 -0.041 0.000 0.653 511 R CB -1.979 28.294 30.300 -0.046 0.000 1.043 511 R HN 0.393 nan 8.270 nan 0.000 0.454 512 T N -0.881 113.699 114.554 0.043 0.000 2.814 512 T HA 0.537 4.887 4.350 -0.001 0.000 0.297 512 T C 0.783 175.511 174.700 0.047 0.000 0.956 512 T CA -0.617 61.531 62.100 0.080 0.000 1.123 512 T CB 1.439 70.385 68.868 0.130 0.000 0.902 512 T HN 0.192 nan 8.240 nan 0.000 0.528 513 L N 1.879 123.125 121.223 0.037 0.000 2.303 513 L HA 0.838 5.177 4.340 -0.001 0.000 0.266 513 L C 0.648 177.529 176.870 0.018 0.000 1.011 513 L CA -1.326 53.524 54.840 0.017 0.000 0.818 513 L CB 2.040 44.099 42.059 0.000 0.000 1.326 513 L HN 0.910 nan 8.230 nan 0.000 0.435 514 G N 1.721 110.520 108.800 -0.002 0.000 3.113 514 G HA2 0.603 4.563 3.960 -0.001 0.000 0.301 514 G HA3 0.603 4.563 3.960 -0.001 0.000 0.301 514 G C -1.030 173.847 174.900 -0.039 0.000 1.606 514 G CA -0.134 44.962 45.100 -0.007 0.000 1.060 514 G HN 0.326 nan 8.290 nan 0.000 0.540 515 I N 2.046 122.582 120.570 -0.056 0.000 2.377 515 I HA 0.685 4.855 4.170 -0.001 0.000 0.293 515 I C 0.891 176.936 176.117 -0.121 0.000 0.987 515 I CA -0.353 60.855 61.300 -0.153 0.000 1.185 515 I CB 2.113 39.967 38.000 -0.243 0.000 1.341 515 I HN 0.458 nan 8.210 nan 0.000 0.455 516 G N 4.750 113.468 108.800 -0.136 0.000 3.222 516 G HA2 0.751 4.711 3.960 -0.001 0.000 0.263 516 G HA3 0.751 4.711 3.960 -0.001 0.000 0.263 516 G C -0.860 174.025 174.900 -0.025 0.000 1.312 516 G CA -0.469 44.619 45.100 -0.019 0.000 0.934 516 G HN 0.507 nan 8.290 nan 0.000 0.577 517 V N -1.629 118.336 119.914 0.085 0.000 3.019 517 V HA 0.893 5.013 4.120 -0.001 0.000 0.317 517 V C -0.133 176.040 176.094 0.132 0.000 1.094 517 V CA -1.005 61.362 62.300 0.112 0.000 1.000 517 V CB 1.329 33.234 31.823 0.136 0.000 1.060 517 V HN 1.100 nan 8.190 nan 0.000 0.443 518 I N -1.463 119.200 120.570 0.156 0.000 3.074 518 I HA 0.749 4.918 4.170 -0.001 0.000 0.310 518 I C 0.230 176.490 176.117 0.238 0.000 1.153 518 I CA -0.744 60.666 61.300 0.183 0.000 0.993 518 I CB 2.195 40.282 38.000 0.145 0.000 1.237 518 I HN 0.702 nan 8.210 nan 0.000 0.443 519 N N 0.835 119.705 118.700 0.284 0.000 2.901 519 N HA -0.247 4.492 4.740 -0.001 0.000 0.248 519 N C 0.231 175.997 175.510 0.427 0.000 1.044 519 N CA 1.149 54.408 53.050 0.349 0.000 0.847 519 N CB -1.121 37.563 38.487 0.328 0.000 1.127 519 N HN 0.880 nan 8.380 nan 0.000 0.562 520 F N 1.143 121.251 119.950 0.263 0.000 2.065 520 F HA -0.105 4.421 4.527 -0.001 0.000 0.298 520 F C 2.250 178.251 175.800 0.336 0.000 1.112 520 F CA 2.551 60.709 58.000 0.264 0.000 1.212 520 F CB -0.861 38.301 39.000 0.271 0.000 0.975 520 F HN 0.203 nan 8.300 nan 0.000 0.476 521 A N -0.350 122.711 122.820 0.401 0.000 1.884 521 A HA -0.340 3.980 4.320 -0.001 0.000 0.219 521 A C 2.201 179.948 177.584 0.272 0.000 1.197 521 A CA 2.133 54.404 52.037 0.390 0.000 0.637 521 A CB -1.924 17.422 19.000 0.576 0.000 0.827 521 A HN 0.647 nan 8.150 nan 0.000 0.450 522 Y N -1.155 119.308 120.300 0.272 0.000 2.181 522 Y HA -0.270 4.279 4.550 -0.001 0.000 0.288 522 Y C 2.211 178.152 175.900 0.069 0.000 1.146 522 Y CA 1.820 60.020 58.100 0.167 0.000 1.164 522 Y CB -0.897 37.730 38.460 0.278 0.000 0.982 522 Y HN 0.457 nan 8.280 nan 0.000 0.515 523 Y N 0.318 120.524 120.300 -0.156 0.000 2.097 523 Y HA -0.298 4.252 4.550 -0.001 0.000 0.282 523 Y C 2.194 177.942 175.900 -0.254 0.000 1.152 523 Y CA 2.295 60.255 58.100 -0.233 0.000 1.136 523 Y CB -0.691 37.710 38.460 -0.098 0.000 0.975 523 Y HN 0.168 nan 8.280 nan 0.000 0.498 524 L N -0.214 120.813 121.223 -0.328 0.000 2.042 524 L HA -0.267 4.073 4.340 -0.001 0.000 0.210 524 L C 2.819 179.499 176.870 -0.316 0.000 1.076 524 L CA 1.205 55.791 54.840 -0.423 0.000 0.749 524 L CB -1.139 40.595 42.059 -0.542 0.000 0.893 524 L HN 0.403 nan 8.230 nan 0.000 0.432 525 A N 0.113 122.733 122.820 -0.334 0.000 1.883 525 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 525 A C 2.312 179.668 177.584 -0.379 0.000 1.186 525 A CA 1.618 53.420 52.037 -0.391 0.000 0.624 525 A CB -0.403 18.177 19.000 -0.699 0.000 0.822 525 A HN 0.287 nan 8.150 nan 0.000 0.444 526 K N -0.974 119.138 120.400 -0.480 0.000 2.113 526 K HA -0.208 4.111 4.320 -0.001 0.000 0.208 526 K C 1.134 177.444 176.600 -0.484 0.000 1.047 526 K CA 1.834 57.825 56.287 -0.493 0.000 0.928 526 K CB -0.342 31.804 32.500 -0.590 0.000 0.716 526 K HN 0.715 nan 8.250 nan 0.000 0.446 527 H N -1.028 117.778 119.070 -0.440 0.000 2.520 527 H HA 0.185 4.740 4.556 -0.001 0.000 0.284 527 H C 0.626 175.795 175.328 -0.266 0.000 1.037 527 H CA 0.368 56.201 56.048 -0.359 0.000 1.168 527 H CB 0.508 30.004 29.762 -0.444 0.000 1.497 527 H HN 0.378 nan 8.280 nan 0.000 0.547 528 G N 1.541 110.240 108.800 -0.169 0.000 2.323 528 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.292 528 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.292 528 G C -0.023 174.814 174.900 -0.104 0.000 1.040 528 G CA 0.165 45.185 45.100 -0.134 0.000 0.942 528 G HN 0.217 nan 8.290 nan 0.000 0.506 529 K N -0.646 119.678 120.400 -0.126 0.000 2.280 529 K HA 0.730 5.050 4.320 -0.001 0.000 0.234 529 K C 0.760 177.310 176.600 -0.084 0.000 1.028 529 K CA -0.712 55.511 56.287 -0.107 0.000 0.882 529 K CB 1.491 33.903 32.500 -0.146 0.000 1.194 529 K HN 0.374 nan 8.250 nan 0.000 0.458 530 R N -0.357 120.121 120.500 -0.037 0.000 2.922 530 R HA 0.349 4.689 4.340 -0.001 0.000 0.256 530 R C 0.747 177.094 176.300 0.078 0.000 1.138 530 R CA -0.741 55.395 56.100 0.060 0.000 0.995 530 R CB 0.244 30.605 30.300 0.101 0.000 1.226 530 R HN 0.485 nan 8.270 nan 0.000 0.481 531 Y N 0.253 120.598 120.300 0.075 0.000 2.343 531 Y HA -0.084 4.466 4.550 0.000 0.000 0.294 531 Y C 2.545 178.510 175.900 0.108 0.000 1.122 531 Y CA 1.600 59.776 58.100 0.128 0.000 1.173 531 Y CB 0.110 38.685 38.460 0.192 0.000 1.077 531 Y HN 0.599 nan 8.280 nan 0.000 0.542 532 S N -0.374 115.483 115.700 0.262 0.000 2.453 532 S HA -0.119 4.350 4.470 -0.001 0.000 0.231 532 S C 1.124 175.793 174.600 0.115 0.000 1.005 532 S CA 1.186 59.488 58.200 0.169 0.000 0.949 532 S CB -0.424 62.852 63.200 0.126 0.000 0.774 532 S HN 0.578 nan 8.310 nan 0.000 0.510 533 D N 0.003 120.458 120.400 0.093 0.000 2.349 533 D HA 0.312 4.951 4.640 -0.001 0.000 0.214 533 D C 1.386 177.712 176.300 0.043 0.000 1.063 533 D CA 0.525 54.562 54.000 0.061 0.000 0.847 533 D CB -0.467 40.362 40.800 0.049 0.000 0.933 533 D HN 0.501 nan 8.370 nan 0.000 0.513 534 G N 0.493 109.317 108.800 0.041 0.000 2.176 534 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.253 534 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.253 534 G C 1.255 176.157 174.900 0.004 0.000 0.979 534 G CA 0.850 45.958 45.100 0.013 0.000 0.641 534 G HN 0.669 nan 8.290 nan 0.000 0.530 535 S N -0.225 115.479 115.700 0.006 0.000 2.442 535 S HA 0.290 4.759 4.470 -0.001 0.000 0.236 535 S C 2.255 176.841 174.600 -0.024 0.000 1.007 535 S CA 1.550 59.745 58.200 -0.009 0.000 0.965 535 S CB -0.151 63.042 63.200 -0.011 0.000 0.773 535 S HN 1.765 nan 8.310 nan 0.000 0.504 536 A N 1.007 123.811 122.820 -0.027 0.000 2.308 536 A HA 0.321 4.640 4.320 -0.001 0.000 0.217 536 A C 1.713 179.313 177.584 0.027 0.000 1.216 536 A CA 0.172 52.189 52.037 -0.033 0.000 0.864 536 A CB -0.456 18.486 19.000 -0.097 0.000 0.902 536 A HN 0.466 nan 8.150 nan 0.000 0.499 537 N N 1.770 120.481 118.700 0.018 0.000 2.005 537 N HA -0.201 4.538 4.740 -0.001 0.000 0.199 537 N C 1.408 176.967 175.510 0.082 0.000 1.054 537 N CA 2.037 55.104 53.050 0.029 0.000 0.864 537 N CB -0.368 38.108 38.487 -0.017 0.000 1.063 537 N HN 0.441 nan 8.380 nan 0.000 0.428 538 N N 0.276 119.008 118.700 0.054 0.000 2.104 538 N HA -0.115 4.625 4.740 -0.001 0.000 0.190 538 N C 1.721 177.312 175.510 0.135 0.000 1.024 538 N CA 0.491 53.586 53.050 0.075 0.000 0.853 538 N CB -0.580 37.919 38.487 0.020 0.000 1.008 538 N HN 0.197 nan 8.380 nan 0.000 0.424 539 L N 1.392 122.668 121.223 0.088 0.000 2.017 539 L HA -0.100 4.239 4.340 -0.001 0.000 0.208 539 L C 1.913 178.907 176.870 0.207 0.000 1.073 539 L CA 1.800 56.689 54.840 0.081 0.000 0.745 539 L CB -1.336 40.698 42.059 -0.042 0.000 0.894 539 L HN 0.083 nan 8.230 nan 0.000 0.432 540 T N -0.907 113.806 114.554 0.264 0.000 2.652 540 T HA -0.273 4.076 4.350 -0.001 0.000 0.267 540 T C 1.869 176.824 174.700 0.426 0.000 1.039 540 T CA 1.733 64.092 62.100 0.431 0.000 1.153 540 T CB -0.639 68.442 68.868 0.354 0.000 0.863 540 T HN 0.537 nan 8.240 nan 0.000 0.428 541 H N 1.547 120.760 119.070 0.240 0.000 2.352 541 H HA -0.030 4.525 4.556 -0.001 0.000 0.299 541 H C 2.429 177.895 175.328 0.231 0.000 1.097 541 H CA 1.669 57.885 56.048 0.281 0.000 1.311 541 H CB -0.207 29.663 29.762 0.180 0.000 1.377 541 H HN 0.238 nan 8.280 nan 0.000 0.504 542 K N -0.199 120.437 120.400 0.394 0.000 2.009 542 K HA -0.113 4.207 4.320 -0.001 0.000 0.210 542 K C 2.110 178.787 176.600 0.128 0.000 1.049 542 K CA 1.932 58.391 56.287 0.286 0.000 0.929 542 K CB -0.085 32.535 32.500 0.200 0.000 0.714 542 K HN 0.326 nan 8.250 nan 0.000 0.440 543 T N 0.577 115.201 114.554 0.117 0.000 2.746 543 T HA -0.109 4.240 4.350 -0.001 0.000 0.267 543 T C 1.717 176.249 174.700 -0.280 0.000 1.039 543 T CA 1.434 63.502 62.100 -0.054 0.000 1.142 543 T CB -0.326 68.523 68.868 -0.032 0.000 0.866 543 T HN 0.146 nan 8.240 nan 0.000 0.444 544 F N 1.239 121.140 119.950 -0.081 0.000 2.325 544 F HA 0.091 4.618 4.527 -0.001 0.000 0.299 544 F C 2.544 178.054 175.800 -0.483 0.000 1.090 544 F CA 0.572 58.492 58.000 -0.134 0.000 1.392 544 F CB -0.211 38.804 39.000 0.026 0.000 1.053 544 F HN 0.164 nan 8.300 nan 0.000 0.521 545 E N 0.668 120.346 120.200 -0.870 0.000 2.031 545 E HA -0.243 4.106 4.350 -0.001 0.000 0.193 545 E C 2.414 178.799 176.600 -0.359 0.000 0.994 545 E CA 1.135 56.830 56.400 -1.175 0.000 0.800 545 E CB -0.178 29.037 29.700 -0.808 0.000 0.752 545 E HN 0.315 nan 8.360 nan 0.000 0.447 546 A N 1.467 124.146 122.820 -0.235 0.000 1.859 546 A HA -0.237 4.083 4.320 -0.001 0.000 0.217 546 A C 2.234 179.643 177.584 -0.291 0.000 1.198 546 A CA 1.928 53.751 52.037 -0.356 0.000 0.629 546 A CB -0.954 17.992 19.000 -0.090 0.000 0.830 546 A HN 0.338 nan 8.150 nan 0.000 0.446 547 I N -0.925 119.532 120.570 -0.189 0.000 2.087 547 I HA -0.358 3.811 4.170 -0.001 0.000 0.240 547 I C 2.831 178.969 176.117 0.036 0.000 1.054 547 I CA 2.160 63.420 61.300 -0.066 0.000 1.311 547 I CB -0.381 37.583 38.000 -0.060 0.000 1.024 547 I HN 0.441 nan 8.210 nan 0.000 0.402 548 Q N 0.111 119.954 119.800 0.072 0.000 2.084 548 Q HA -0.262 4.077 4.340 -0.001 0.000 0.202 548 Q C 2.087 178.121 176.000 0.057 0.000 0.978 548 Q CA 1.853 57.772 55.803 0.193 0.000 0.844 548 Q CB -0.621 28.377 28.738 0.433 0.000 0.898 548 Q HN 0.574 nan 8.270 nan 0.000 0.426 549 Y N -0.407 119.735 120.300 -0.265 0.000 2.070 549 Y HA -0.329 4.220 4.550 -0.001 0.000 0.280 549 Y C 1.671 177.235 175.900 -0.560 0.000 1.148 549 Y CA 2.228 59.881 58.100 -0.744 0.000 1.125 549 Y CB -0.657 37.087 38.460 -1.194 0.000 0.975 549 Y HN 0.203 nan 8.280 nan 0.000 0.492 550 Y N 0.064 120.129 120.300 -0.393 0.000 2.274 550 Y HA -0.222 4.328 4.550 -0.001 0.000 0.290 550 Y C 2.424 178.168 175.900 -0.260 0.000 1.145 550 Y CA 1.365 59.242 58.100 -0.372 0.000 1.203 550 Y CB -0.945 37.360 38.460 -0.258 0.000 0.984 550 Y HN 0.196 nan 8.280 nan 0.000 0.533 551 L N -1.104 120.121 121.223 0.004 0.000 2.027 551 L HA -0.227 4.112 4.340 -0.001 0.000 0.206 551 L C 2.331 179.155 176.870 -0.076 0.000 1.074 551 L CA 1.087 55.948 54.840 0.035 0.000 0.745 551 L CB -0.702 41.424 42.059 0.113 0.000 0.898 551 L HN 0.208 nan 8.230 nan 0.000 0.433 552 L N -0.184 120.947 121.223 -0.153 0.000 2.046 552 L HA -0.262 4.077 4.340 -0.001 0.000 0.208 552 L C 2.698 179.404 176.870 -0.272 0.000 1.077 552 L CA 1.384 56.092 54.840 -0.220 0.000 0.747 552 L CB -0.434 41.502 42.059 -0.204 0.000 0.896 552 L HN 0.263 nan 8.230 nan 0.000 0.432 553 K N 0.300 120.460 120.400 -0.399 0.000 1.978 553 K HA -0.241 4.079 4.320 -0.001 0.000 0.214 553 K C 2.142 178.636 176.600 -0.177 0.000 1.049 553 K CA 1.727 57.808 56.287 -0.344 0.000 0.939 553 K CB -0.278 31.941 32.500 -0.468 0.000 0.721 553 K HN 0.234 nan 8.250 nan 0.000 0.441 554 A N 0.412 123.163 122.820 -0.115 0.000 1.903 554 A HA -0.258 4.062 4.320 -0.001 0.000 0.219 554 A C 2.299 179.847 177.584 -0.060 0.000 1.191 554 A CA 2.496 54.502 52.037 -0.052 0.000 0.638 554 A CB -1.190 17.811 19.000 0.002 0.000 0.823 554 A HN 0.482 nan 8.150 nan 0.000 0.451 555 S N -0.683 114.966 115.700 -0.085 0.000 2.356 555 S HA -0.194 4.276 4.470 -0.001 0.000 0.223 555 S C 2.118 176.644 174.600 -0.124 0.000 1.032 555 S CA 1.376 59.517 58.200 -0.099 0.000 1.005 555 S CB -0.569 62.558 63.200 -0.123 0.000 0.867 555 S HN 0.768 nan 8.310 nan 0.000 0.449 556 N N 0.262 118.876 118.700 -0.144 0.000 2.069 556 N HA -0.167 4.572 4.740 -0.001 0.000 0.191 556 N C 1.579 177.019 175.510 -0.116 0.000 1.031 556 N CA 1.332 54.302 53.050 -0.133 0.000 0.852 556 N CB -0.162 38.253 38.487 -0.120 0.000 1.018 556 N HN 0.305 nan 8.380 nan 0.000 0.423 557 E N 1.050 121.187 120.200 -0.105 0.000 2.097 557 E HA -0.190 4.160 4.350 -0.001 0.000 0.196 557 E C 1.996 178.548 176.600 -0.080 0.000 1.000 557 E CA 0.612 56.958 56.400 -0.090 0.000 0.804 557 E CB -0.518 29.148 29.700 -0.056 0.000 0.740 557 E HN 0.362 nan 8.360 nan 0.000 0.454 558 L N 0.474 121.656 121.223 -0.067 0.000 2.141 558 L HA -0.062 4.278 4.340 -0.001 0.000 0.209 558 L C 2.107 178.924 176.870 -0.089 0.000 1.094 558 L CA 1.775 56.579 54.840 -0.060 0.000 0.763 558 L CB -0.582 41.448 42.059 -0.049 0.000 0.908 558 L HN 0.048 nan 8.230 nan 0.000 0.437 559 A N -0.679 122.073 122.820 -0.114 0.000 1.898 559 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 559 A C 2.263 179.782 177.584 -0.109 0.000 1.181 559 A CA 1.569 53.528 52.037 -0.129 0.000 0.620 559 A CB -0.412 18.477 19.000 -0.185 0.000 0.819 559 A HN 0.427 nan 8.150 nan 0.000 0.442 560 K N -0.341 119.981 120.400 -0.130 0.000 2.001 560 K HA -0.254 4.065 4.320 -0.001 0.000 0.214 560 K C 2.100 178.633 176.600 -0.111 0.000 1.050 560 K CA 1.827 58.014 56.287 -0.166 0.000 0.934 560 K CB -0.382 31.953 32.500 -0.275 0.000 0.718 560 K HN 0.735 nan 8.250 nan 0.000 0.443 561 E N 0.988 121.131 120.200 -0.095 0.000 2.023 561 E HA -0.236 4.114 4.350 -0.001 0.000 0.196 561 E C 1.511 178.062 176.600 -0.082 0.000 1.003 561 E CA 1.658 58.013 56.400 -0.076 0.000 0.809 561 E CB 0.154 29.820 29.700 -0.058 0.000 0.755 561 E HN 0.326 nan 8.360 nan 0.000 0.449 562 Q N -1.001 118.746 119.800 -0.089 0.000 2.189 562 Q HA 0.275 4.614 4.340 -0.001 0.000 0.223 562 Q C -0.406 175.546 176.000 -0.079 0.000 0.828 562 Q CA 0.163 55.911 55.803 -0.091 0.000 0.967 562 Q CB 2.037 30.709 28.738 -0.110 0.000 1.139 562 Q HN 0.355 nan 8.270 nan 0.000 0.497 563 G N 1.216 109.969 108.800 -0.079 0.000 2.785 563 G HA2 0.022 3.982 3.960 -0.001 0.000 0.686 563 G HA3 0.022 3.982 3.960 -0.001 0.000 0.686 563 G C -0.389 174.453 174.900 -0.098 0.000 1.155 563 G CA -0.582 44.474 45.100 -0.074 0.000 0.760 563 G HN 0.317 nan 8.290 nan 0.000 0.624 564 A N 1.299 124.040 122.820 -0.133 0.000 2.386 564 A HA 0.617 4.937 4.320 -0.001 0.000 0.246 564 A C 1.658 179.207 177.584 -0.058 0.000 1.089 564 A CA 0.554 52.477 52.037 -0.189 0.000 0.790 564 A CB -0.277 18.477 19.000 -0.411 0.000 1.042 564 A HN 2.525 nan 8.150 nan 0.000 0.497 565 C N 0.066 119.365 119.300 -0.001 0.000 2.679 565 C HA 0.351 4.811 4.460 -0.001 0.000 0.417 565 C C -1.047 174.011 174.990 0.113 0.000 1.302 565 C CA -0.960 58.080 59.018 0.037 0.000 1.973 565 C CB -0.469 27.309 27.740 0.063 0.000 2.715 565 C HN 0.706 nan 8.230 nan 0.000 0.628 566 P HA -0.150 nan 4.420 nan 0.000 0.216 566 P C 0.780 178.302 177.300 0.371 0.000 1.167 566 P CA 1.966 65.149 63.100 0.140 0.000 0.914 566 P CB -0.142 31.560 31.700 0.004 0.000 0.793 567 W N -1.740 119.626 121.300 0.110 0.000 3.447 567 W HA 0.267 4.926 4.660 -0.001 0.000 0.348 567 W C 1.513 178.129 176.519 0.161 0.000 1.220 567 W CA -1.253 56.160 57.345 0.114 0.000 1.809 567 W CB -2.059 27.453 29.460 0.086 0.000 1.040 567 W HN -0.045 nan 8.180 nan 0.000 0.735 568 F N 2.977 123.067 119.950 0.233 0.000 2.154 568 F HA -0.328 4.199 4.527 -0.001 0.000 0.301 568 F C 1.813 177.706 175.800 0.156 0.000 1.087 568 F CA 2.320 60.417 58.000 0.162 0.000 1.274 568 F CB -0.534 38.523 39.000 0.096 0.000 1.009 568 F HN 0.095 nan 8.300 nan 0.000 0.485 569 N N 0.008 118.747 118.700 0.064 0.000 2.519 569 N HA -0.196 4.544 4.740 -0.001 0.000 0.186 569 N C 0.970 176.443 175.510 -0.062 0.000 1.062 569 N CA 1.425 54.450 53.050 -0.041 0.000 0.910 569 N CB -0.735 37.789 38.487 0.062 0.000 0.958 569 N HN 0.548 nan 8.380 nan 0.000 0.445 570 E N 0.014 120.220 120.200 0.011 0.000 2.479 570 E HA -0.020 4.329 4.350 -0.001 0.000 0.193 570 E C 0.178 176.823 176.600 0.075 0.000 1.049 570 E CA 0.311 56.745 56.400 0.056 0.000 0.870 570 E CB 0.038 29.803 29.700 0.108 0.000 0.944 570 E HN 0.503 nan 8.360 nan 0.000 0.492 571 T N -0.457 114.043 114.554 -0.091 0.000 2.904 571 T HA 0.085 4.435 4.350 -0.001 0.000 0.290 571 T C 1.464 176.029 174.700 -0.224 0.000 1.018 571 T CA -0.172 61.803 62.100 -0.209 0.000 1.075 571 T CB 1.554 70.223 68.868 -0.332 0.000 0.986 571 T HN 0.027 nan 8.240 nan 0.000 0.523 572 T N -0.749 113.672 114.554 -0.222 0.000 3.035 572 T HA -0.071 4.278 4.350 -0.001 0.000 0.268 572 T C 1.388 175.973 174.700 -0.191 0.000 1.109 572 T CA 0.499 62.481 62.100 -0.197 0.000 1.119 572 T CB -0.757 67.980 68.868 -0.219 0.000 0.900 572 T HN 0.636 nan 8.240 nan 0.000 0.503 573 Y N 2.275 122.463 120.300 -0.187 0.000 2.165 573 Y HA 0.098 4.648 4.550 -0.001 0.000 0.286 573 Y C 3.006 178.864 175.900 -0.071 0.000 1.155 573 Y CA 0.637 58.692 58.100 -0.074 0.000 1.164 573 Y CB -1.020 37.440 38.460 -0.000 0.000 0.978 573 Y HN 0.330 nan 8.280 nan 0.000 0.513 574 A N -0.180 122.461 122.820 -0.299 0.000 2.024 574 A HA -0.198 4.122 4.320 -0.001 0.000 0.220 574 A C 1.940 179.520 177.584 -0.008 0.000 1.164 574 A CA 1.593 53.471 52.037 -0.265 0.000 0.643 574 A CB -0.497 18.113 19.000 -0.650 0.000 0.806 574 A HN 0.399 nan 8.150 nan 0.000 0.451 575 K N -1.205 119.174 120.400 -0.035 0.000 2.469 575 K HA 0.250 4.570 4.320 -0.001 0.000 0.201 575 K C 0.859 177.479 176.600 0.033 0.000 1.028 575 K CA 0.397 56.684 56.287 0.000 0.000 1.170 575 K CB -0.171 32.313 32.500 -0.028 0.000 0.874 575 K HN 0.617 nan 8.250 nan 0.000 0.507 576 G N 1.755 110.601 108.800 0.078 0.000 2.160 576 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.251 576 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.251 576 G C 0.109 175.055 174.900 0.076 0.000 1.008 576 G CA -0.105 45.055 45.100 0.101 0.000 0.724 576 G HN 0.274 nan 8.290 nan 0.000 0.514 577 I N 0.366 120.950 120.570 0.023 0.000 2.428 577 I HA 0.565 4.734 4.170 -0.001 0.000 0.296 577 I C 0.705 176.783 176.117 -0.065 0.000 0.985 577 I CA -0.587 60.693 61.300 -0.033 0.000 1.260 577 I CB 1.367 39.312 38.000 -0.093 0.000 1.389 577 I HN -0.043 nan 8.210 nan 0.000 0.484 578 L N 6.587 127.800 121.223 -0.017 0.000 2.333 578 L HA 0.400 4.739 4.340 -0.001 0.000 0.263 578 L C -1.713 175.146 176.870 -0.019 0.000 1.014 578 L CA -1.615 53.245 54.840 0.034 0.000 0.820 578 L CB 2.245 44.451 42.059 0.246 0.000 1.352 578 L HN 0.253 nan 8.230 nan 0.000 0.421 579 P HA -0.206 nan 4.420 nan 0.000 0.216 579 P C 1.538 178.868 177.300 0.050 0.000 1.157 579 P CA 1.619 64.758 63.100 0.065 0.000 0.880 579 P CB -0.078 31.699 31.700 0.129 0.000 0.791 580 I N -3.579 116.909 120.570 -0.136 0.000 3.010 580 I HA -0.114 4.056 4.170 -0.001 0.000 0.271 580 I C 0.789 176.930 176.117 0.039 0.000 1.293 580 I CA 1.622 62.839 61.300 -0.139 0.000 1.452 580 I CB -0.660 37.084 38.000 -0.425 0.000 1.082 580 I HN -0.131 nan 8.210 nan 0.000 0.484 581 D N 1.267 121.657 120.400 -0.018 0.000 2.338 581 D HA -0.040 4.600 4.640 -0.001 0.000 0.208 581 D C 1.985 178.179 176.300 -0.177 0.000 0.997 581 D CA 1.601 55.553 54.000 -0.080 0.000 0.880 581 D CB 0.211 40.982 40.800 -0.048 0.000 0.980 581 D HN 0.542 nan 8.370 nan 0.000 0.509 582 T N -1.439 113.048 114.554 -0.111 0.000 3.129 582 T HA 0.099 4.448 4.350 -0.001 0.000 0.267 582 T C 0.751 175.236 174.700 -0.357 0.000 1.018 582 T CA -0.768 61.239 62.100 -0.154 0.000 0.903 582 T CB -0.725 68.154 68.868 0.019 0.000 1.067 582 T HN 0.090 nan 8.240 nan 0.000 0.549 583 Y N 1.170 121.147 120.300 -0.539 0.000 2.335 583 Y HA 0.550 5.100 4.550 -0.001 0.000 0.348 583 Y C 0.476 176.018 175.900 -0.598 0.000 1.280 583 Y CA -1.746 55.744 58.100 -1.017 0.000 1.504 583 Y CB 0.378 38.386 38.460 -0.754 0.000 1.366 583 Y HN -0.065 nan 8.280 nan 0.000 0.621 584 K N 2.618 122.801 120.400 -0.361 0.000 2.363 584 K HA 0.058 4.378 4.320 -0.001 0.000 0.289 584 K C 0.976 177.519 176.600 -0.095 0.000 1.063 584 K CA -0.307 55.804 56.287 -0.293 0.000 0.967 584 K CB 0.555 32.839 32.500 -0.360 0.000 0.987 584 K HN 0.752 nan 8.250 nan 0.000 0.473 585 K N 2.851 123.120 120.400 -0.219 0.000 2.127 585 K HA -0.255 4.064 4.320 -0.001 0.000 0.208 585 K C 0.308 176.933 176.600 0.042 0.000 1.047 585 K CA 2.137 58.356 56.287 -0.113 0.000 0.927 585 K CB -0.380 32.026 32.500 -0.158 0.000 0.716 585 K HN 0.632 nan 8.250 nan 0.000 0.450 586 D N 1.655 122.065 120.400 0.017 0.000 2.203 586 D HA -0.131 4.509 4.640 -0.001 0.000 0.199 586 D C 2.006 178.443 176.300 0.228 0.000 0.997 586 D CA 1.036 55.082 54.000 0.078 0.000 0.863 586 D CB -0.265 40.502 40.800 -0.056 0.000 0.928 586 D HN 0.161 nan 8.370 nan 0.000 0.458 587 L N 0.669 122.032 121.223 0.233 0.000 2.137 587 L HA -0.236 4.103 4.340 -0.001 0.000 0.213 587 L C 1.709 178.625 176.870 0.078 0.000 1.085 587 L CA 1.191 56.116 54.840 0.142 0.000 0.760 587 L CB -0.455 41.618 42.059 0.023 0.000 0.893 587 L HN 0.087 nan 8.230 nan 0.000 0.434 588 D N -0.515 119.955 120.400 0.118 0.000 2.149 588 D HA -0.181 4.459 4.640 -0.001 0.000 0.198 588 D C 2.129 178.453 176.300 0.039 0.000 0.990 588 D CA 2.010 56.050 54.000 0.066 0.000 0.839 588 D CB -0.268 40.584 40.800 0.087 0.000 0.948 588 D HN 0.422 nan 8.370 nan 0.000 0.460 589 T N -1.270 113.328 114.554 0.073 0.000 3.160 589 T HA -0.010 4.340 4.350 -0.001 0.000 0.257 589 T C 1.762 176.498 174.700 0.061 0.000 1.147 589 T CA 0.259 62.401 62.100 0.070 0.000 1.064 589 T CB -0.483 68.446 68.868 0.102 0.000 0.949 589 T HN 0.442 nan 8.240 nan 0.000 0.526 590 I N -2.653 117.934 120.570 0.028 0.000 4.240 590 I HA 0.757 4.926 4.170 -0.001 0.000 0.331 590 I C 0.294 176.373 176.117 -0.063 0.000 1.381 590 I CA -1.064 60.212 61.300 -0.040 0.000 1.136 590 I CB 0.362 38.254 38.000 -0.180 0.000 1.137 590 I HN 0.231 nan 8.210 nan 0.000 0.411 591 A N 2.290 125.075 122.820 -0.058 0.000 2.566 591 A HA 0.476 4.795 4.320 -0.001 0.000 0.297 591 A C -0.240 177.269 177.584 -0.124 0.000 1.059 591 A CA -0.637 51.352 52.037 -0.080 0.000 0.691 591 A CB 0.822 19.785 19.000 -0.062 0.000 1.282 591 A HN 0.381 nan 8.150 nan 0.000 0.401 592 N N 0.866 119.486 118.700 -0.134 0.000 2.181 592 N HA 0.060 4.800 4.740 -0.001 0.000 0.207 592 N C 0.121 175.508 175.510 -0.206 0.000 1.182 592 N CA -0.244 52.719 53.050 -0.145 0.000 0.893 592 N CB 0.555 38.992 38.487 -0.082 0.000 1.032 592 N HN 0.647 nan 8.380 nan 0.000 0.513 593 E N 3.892 123.943 120.200 -0.249 0.000 2.652 593 E HA 0.036 4.385 4.350 -0.001 0.000 0.255 593 E C -2.193 174.198 176.600 -0.349 0.000 0.952 593 E CA -1.044 55.222 56.400 -0.223 0.000 0.947 593 E CB 0.587 30.212 29.700 -0.126 0.000 0.912 593 E HN 0.245 nan 8.360 nan 0.000 0.489 594 P HA 0.110 nan 4.420 nan 0.000 0.284 594 P C -0.632 176.434 177.300 -0.390 0.000 1.253 594 P CA -0.329 62.601 63.100 -0.283 0.000 0.800 594 P CB 0.667 32.213 31.700 -0.256 0.000 0.961 595 L N 3.894 125.028 121.223 -0.148 0.000 2.513 595 L HA 0.017 4.357 4.340 -0.001 0.000 0.272 595 L C 1.919 178.661 176.870 -0.214 0.000 1.187 595 L CA 0.045 54.884 54.840 -0.002 0.000 0.895 595 L CB -0.297 41.856 42.059 0.158 0.000 1.147 595 L HN 0.467 nan 8.230 nan 0.000 0.483 596 H N 2.521 121.601 119.070 0.015 0.000 2.563 596 H HA 0.108 4.663 4.556 -0.001 0.000 0.264 596 H C -0.322 174.664 175.328 -0.569 0.000 0.957 596 H CA 0.341 56.211 56.048 -0.297 0.000 1.173 596 H CB 0.220 29.714 29.762 -0.446 0.000 1.420 596 H HN 0.429 nan 8.280 nan 0.000 0.551 597 Y N 0.480 120.738 120.300 -0.069 0.000 2.534 597 Y HA 0.157 4.707 4.550 -0.001 0.000 0.329 597 Y C 0.628 176.368 175.900 -0.266 0.000 1.154 597 Y CA -1.162 56.644 58.100 -0.491 0.000 1.192 597 Y CB 1.016 38.647 38.460 -1.382 0.000 1.275 597 Y HN -0.131 nan 8.280 nan 0.000 0.491 598 D N 1.221 121.523 120.400 -0.164 0.000 2.470 598 D HA 0.019 4.659 4.640 -0.001 0.000 0.226 598 D C -0.072 176.304 176.300 0.127 0.000 1.196 598 D CA 0.085 54.115 54.000 0.050 0.000 0.979 598 D CB -0.030 40.816 40.800 0.075 0.000 1.059 598 D HN 0.515 nan 8.370 nan 0.000 0.515 599 W N 1.781 123.185 121.300 0.174 0.000 2.418 599 W HA -0.049 4.611 4.660 -0.001 0.000 0.292 599 W C 2.098 178.727 176.519 0.184 0.000 1.213 599 W CA 0.108 57.592 57.345 0.231 0.000 1.283 599 W CB 0.236 29.821 29.460 0.208 0.000 1.119 599 W HN 0.342 nan 8.180 nan 0.000 0.542 600 E N 0.174 120.575 120.200 0.335 0.000 2.106 600 E HA -0.162 4.188 4.350 -0.001 0.000 0.192 600 E C 2.220 178.923 176.600 0.173 0.000 0.984 600 E CA 1.405 57.940 56.400 0.225 0.000 0.806 600 E CB -1.041 28.761 29.700 0.169 0.000 0.750 600 E HN 0.255 nan 8.360 nan 0.000 0.458 601 A N 1.683 124.596 122.820 0.155 0.000 1.865 601 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 601 A C 2.315 179.969 177.584 0.118 0.000 1.191 601 A CA 1.572 53.682 52.037 0.121 0.000 0.623 601 A CB -0.819 18.248 19.000 0.112 0.000 0.826 601 A HN 0.252 nan 8.150 nan 0.000 0.444 602 L N -0.083 121.214 121.223 0.123 0.000 2.042 602 L HA -0.193 4.146 4.340 -0.001 0.000 0.210 602 L C 2.499 179.446 176.870 0.128 0.000 1.076 602 L CA 2.535 57.421 54.840 0.076 0.000 0.749 602 L CB -0.600 41.453 42.059 -0.011 0.000 0.893 602 L HN 0.505 nan 8.230 nan 0.000 0.432 603 R N -0.656 119.963 120.500 0.198 0.000 2.115 603 R HA -0.232 4.108 4.340 -0.001 0.000 0.239 603 R C 2.168 178.561 176.300 0.156 0.000 1.133 603 R CA 2.037 58.264 56.100 0.213 0.000 0.935 603 R CB -0.296 30.134 30.300 0.216 0.000 0.853 603 R HN 0.414 nan 8.270 nan 0.000 0.433 604 E N 0.208 120.481 120.200 0.122 0.000 2.038 604 E HA -0.181 4.168 4.350 -0.001 0.000 0.195 604 E C 1.972 178.610 176.600 0.063 0.000 1.000 604 E CA 1.483 57.932 56.400 0.083 0.000 0.803 604 E CB -0.704 29.038 29.700 0.071 0.000 0.750 604 E HN 0.270 nan 8.360 nan 0.000 0.448 605 S N 0.146 115.897 115.700 0.085 0.000 2.387 605 S HA -0.157 4.313 4.470 -0.001 0.000 0.230 605 S C 2.085 176.748 174.600 0.104 0.000 1.035 605 S CA 1.042 59.316 58.200 0.122 0.000 1.014 605 S CB -0.245 63.033 63.200 0.130 0.000 0.836 605 S HN 0.176 nan 8.310 nan 0.000 0.466 606 I N 0.884 121.510 120.570 0.093 0.000 2.163 606 I HA -0.176 3.994 4.170 -0.001 0.000 0.240 606 I C 2.717 178.917 176.117 0.140 0.000 1.081 606 I CA 1.268 62.632 61.300 0.107 0.000 1.353 606 I CB -0.332 37.778 38.000 0.182 0.000 1.054 606 I HN 0.232 nan 8.210 nan 0.000 0.407 607 K N 0.202 120.692 120.400 0.150 0.000 2.034 607 K HA -0.225 4.094 4.320 -0.001 0.000 0.214 607 K C 2.133 178.758 176.600 0.042 0.000 1.051 607 K CA 2.405 58.773 56.287 0.136 0.000 0.931 607 K CB -0.355 32.203 32.500 0.096 0.000 0.715 607 K HN 0.358 nan 8.250 nan 0.000 0.446 608 T N -0.347 114.152 114.554 -0.092 0.000 2.668 608 T HA -0.124 4.226 4.350 -0.001 0.000 0.262 608 T C 1.445 175.915 174.700 -0.383 0.000 1.045 608 T CA 1.603 63.522 62.100 -0.300 0.000 1.152 608 T CB -0.283 68.248 68.868 -0.561 0.000 0.864 608 T HN 0.433 nan 8.240 nan 0.000 0.419 609 H N 0.021 119.063 119.070 -0.047 0.000 2.551 609 H HA 0.477 5.032 4.556 -0.001 0.000 0.271 609 H C 1.397 176.572 175.328 -0.255 0.000 0.984 609 H CA -0.000 55.980 56.048 -0.112 0.000 1.164 609 H CB -0.022 29.681 29.762 -0.099 0.000 1.437 609 H HN 0.551 nan 8.280 nan 0.000 0.550 610 G N 0.697 109.331 108.800 -0.276 0.000 2.697 610 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.240 610 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.240 610 G C -0.738 173.689 174.900 -0.789 0.000 1.346 610 G CA -0.403 44.106 45.100 -0.984 0.000 0.887 610 G HN 0.205 nan 8.290 nan 0.000 0.569 611 L N -0.389 120.119 121.223 -1.191 0.000 2.354 611 L HA 0.603 4.943 4.340 -0.001 0.000 0.269 611 L C 1.455 178.145 176.870 -0.300 0.000 1.005 611 L CA -0.864 53.717 54.840 -0.431 0.000 0.819 611 L CB 1.990 43.975 42.059 -0.124 0.000 1.311 611 L HN 0.775 nan 8.230 nan 0.000 0.423 612 R N 1.907 122.302 120.500 -0.175 0.000 2.062 612 R HA -0.003 4.337 4.340 -0.001 0.000 0.229 612 R C -0.054 176.219 176.300 -0.046 0.000 1.128 612 R CA 1.359 57.393 56.100 -0.110 0.000 0.960 612 R CB 0.009 30.254 30.300 -0.091 0.000 0.855 612 R HN 0.683 nan 8.270 nan 0.000 0.432 613 N N -0.750 117.927 118.700 -0.037 0.000 2.399 613 N HA 0.189 4.928 4.740 -0.001 0.000 0.295 613 N C -0.307 175.225 175.510 0.037 0.000 1.048 613 N CA -0.248 52.804 53.050 0.003 0.000 0.886 613 N CB 2.156 40.633 38.487 -0.016 0.000 1.185 613 N HN -0.057 nan 8.380 nan 0.000 0.487 614 S N -0.427 115.333 115.700 0.100 0.000 2.461 614 S HA -0.031 4.438 4.470 -0.001 0.000 0.228 614 S C 0.801 175.397 174.600 -0.007 0.000 1.005 614 S CA 0.571 58.824 58.200 0.088 0.000 0.942 614 S CB -0.195 63.112 63.200 0.178 0.000 0.776 614 S HN 0.827 nan 8.310 nan 0.000 0.514 615 T N -1.548 113.035 114.554 0.048 0.000 2.909 615 T HA 0.739 5.089 4.350 -0.001 0.000 0.299 615 T C 0.049 174.777 174.700 0.046 0.000 1.073 615 T CA -0.787 61.350 62.100 0.062 0.000 0.999 615 T CB 1.723 70.664 68.868 0.122 0.000 1.098 615 T HN -0.040 nan 8.240 nan 0.000 0.477 616 L N 1.284 122.538 121.223 0.052 0.000 2.953 616 L HA 0.356 4.696 4.340 -0.001 0.000 0.258 616 L C 0.809 177.707 176.870 0.047 0.000 1.100 616 L CA -0.036 54.826 54.840 0.037 0.000 0.971 616 L CB 0.703 42.776 42.059 0.025 0.000 1.474 616 L HN 0.908 nan 8.230 nan 0.000 0.540 617 S N -0.091 115.653 115.700 0.074 0.000 2.532 617 S HA 0.897 5.367 4.470 -0.001 0.000 0.301 617 S C -0.476 174.155 174.600 0.053 0.000 1.083 617 S CA -0.307 57.938 58.200 0.075 0.000 1.025 617 S CB 2.564 65.848 63.200 0.141 0.000 1.056 617 S HN 0.120 nan 8.310 nan 0.000 0.494 618 A N 2.305 125.145 122.820 0.032 0.000 2.512 618 A HA 0.540 4.859 4.320 -0.001 0.000 0.294 618 A C -1.116 176.468 177.584 0.000 0.000 1.054 618 A CA -0.764 51.278 52.037 0.008 0.000 0.756 618 A CB 0.717 19.712 19.000 -0.008 0.000 1.293 618 A HN 0.863 nan 8.150 nan 0.000 0.395 619 L N 4.727 125.943 121.223 -0.012 0.000 2.302 619 L HA 0.385 4.724 4.340 -0.001 0.000 0.285 619 L C 0.456 177.304 176.870 -0.036 0.000 1.090 619 L CA -0.413 54.420 54.840 -0.011 0.000 0.866 619 L CB 0.520 42.554 42.059 -0.041 0.000 1.244 619 L HN 0.830 nan 8.230 nan 0.000 0.435 620 M N 3.610 123.194 119.600 -0.028 0.000 2.471 620 M HA 0.703 5.182 4.480 -0.001 0.000 0.309 620 M C -2.709 173.586 176.300 -0.008 0.000 1.186 620 M CA -2.131 53.138 55.300 -0.052 0.000 1.008 620 M CB 0.482 33.053 32.600 -0.048 0.000 1.551 620 M HN 0.001 nan 8.290 nan 0.000 0.477 621 P HA 0.385 nan 4.420 nan 0.000 0.275 621 P C -1.121 176.222 177.300 0.072 0.000 1.266 621 P CA -0.303 62.833 63.100 0.060 0.000 0.793 621 P CB 0.573 32.329 31.700 0.093 0.000 1.074 622 S N -2.491 113.268 115.700 0.099 0.000 2.428 622 S HA 0.199 4.668 4.470 -0.001 0.000 0.269 622 S C 0.191 174.848 174.600 0.095 0.000 1.026 622 S CA -0.583 57.673 58.200 0.093 0.000 1.019 622 S CB 0.738 63.992 63.200 0.090 0.000 1.191 622 S HN 0.406 nan 8.310 nan 0.000 0.429 623 E N 3.278 123.532 120.200 0.090 0.000 2.038 623 E HA 0.071 4.420 4.350 -0.001 0.000 0.190 623 E C 1.704 178.338 176.600 0.058 0.000 0.967 623 E CA 2.040 58.484 56.400 0.073 0.000 0.816 623 E CB -0.528 29.216 29.700 0.072 0.000 0.784 623 E HN 0.703 nan 8.360 nan 0.000 0.456 624 T N 0.477 115.071 114.554 0.067 0.000 2.569 624 T HA -0.187 4.163 4.350 -0.001 0.000 0.263 624 T C 2.006 176.740 174.700 0.056 0.000 1.074 624 T CA 2.083 64.216 62.100 0.056 0.000 1.176 624 T CB -0.736 68.198 68.868 0.110 0.000 0.863 624 T HN 0.211 nan 8.240 nan 0.000 0.410 625 S N 2.107 117.877 115.700 0.116 0.000 2.372 625 S HA -0.188 4.281 4.470 -0.001 0.000 0.227 625 S C 2.432 177.082 174.600 0.084 0.000 1.044 625 S CA 1.628 59.911 58.200 0.138 0.000 1.050 625 S CB -0.855 62.436 63.200 0.151 0.000 0.901 625 S HN 0.452 nan 8.310 nan 0.000 0.447 626 S N 1.725 117.468 115.700 0.071 0.000 2.370 626 S HA -0.186 4.283 4.470 -0.001 0.000 0.226 626 S C 2.073 176.675 174.600 0.004 0.000 1.033 626 S CA 1.202 59.434 58.200 0.053 0.000 1.011 626 S CB -0.457 62.787 63.200 0.074 0.000 0.852 626 S HN 0.513 nan 8.310 nan 0.000 0.457 627 Q N 0.307 120.102 119.800 -0.009 0.000 2.096 627 Q HA -0.086 4.253 4.340 -0.001 0.000 0.204 627 Q C 2.192 178.138 176.000 -0.090 0.000 0.982 627 Q CA 1.196 56.968 55.803 -0.051 0.000 0.850 627 Q CB -0.336 28.365 28.738 -0.062 0.000 0.901 627 Q HN 0.543 nan 8.270 nan 0.000 0.422 628 I N 0.122 120.635 120.570 -0.096 0.000 2.315 628 I HA -0.183 3.987 4.170 -0.001 0.000 0.248 628 I C 1.587 177.599 176.117 -0.174 0.000 1.117 628 I CA 1.015 62.258 61.300 -0.096 0.000 1.404 628 I CB -0.285 37.679 38.000 -0.060 0.000 1.071 628 I HN 0.035 nan 8.210 nan 0.000 0.419 629 S N 0.288 115.837 115.700 -0.252 0.000 2.605 629 S HA 0.011 4.480 4.470 -0.001 0.000 0.217 629 S C 0.592 174.969 174.600 -0.372 0.000 0.958 629 S CA -0.199 57.651 58.200 -0.583 0.000 0.919 629 S CB -0.653 62.422 63.200 -0.208 0.000 0.780 629 S HN 0.508 nan 8.310 nan 0.000 0.507 630 N N 1.182 119.763 118.700 -0.199 0.000 2.642 630 N HA -0.233 4.507 4.740 -0.001 0.000 0.269 630 N C -0.556 174.905 175.510 -0.081 0.000 1.073 630 N CA 0.162 53.151 53.050 -0.102 0.000 0.748 630 N CB -0.801 37.654 38.487 -0.054 0.000 0.894 630 N HN 0.496 nan 8.380 nan 0.000 0.548 631 A N 1.239 124.041 122.820 -0.030 0.000 2.475 631 A HA 0.632 4.951 4.320 -0.001 0.000 0.301 631 A C 0.364 178.005 177.584 0.095 0.000 1.059 631 A CA -0.105 51.952 52.037 0.032 0.000 0.710 631 A CB 1.187 20.229 19.000 0.069 0.000 1.288 631 A HN 0.474 nan 8.150 nan 0.000 0.408 632 T N 0.048 114.708 114.554 0.177 0.000 2.903 632 T HA 0.226 4.575 4.350 -0.001 0.000 0.314 632 T C 0.106 174.924 174.700 0.196 0.000 1.078 632 T CA -0.087 62.134 62.100 0.202 0.000 1.114 632 T CB -0.401 68.654 68.868 0.311 0.000 0.987 632 T HN 0.602 nan 8.240 nan 0.000 0.548 633 N N 1.512 120.312 118.700 0.166 0.000 2.497 633 N HA 0.455 5.194 4.740 -0.001 0.000 0.271 633 N C 1.465 177.096 175.510 0.200 0.000 1.142 633 N CA -0.029 53.115 53.050 0.156 0.000 0.965 633 N CB 0.562 39.123 38.487 0.124 0.000 1.077 633 N HN 1.021 nan 8.380 nan 0.000 0.462 634 G N 2.555 111.464 108.800 0.182 0.000 2.698 634 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.346 634 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.346 634 G C 0.748 175.808 174.900 0.266 0.000 1.287 634 G CA 1.281 46.492 45.100 0.185 0.000 0.990 634 G HN 0.794 nan 8.290 nan 0.000 0.545 635 I N -1.507 119.215 120.570 0.253 0.000 4.018 635 I HA 0.462 4.632 4.170 -0.001 0.000 0.337 635 I C 0.174 176.631 176.117 0.566 0.000 1.327 635 I CA -0.065 61.444 61.300 0.349 0.000 1.100 635 I CB 0.378 38.380 38.000 0.004 0.000 1.025 635 I HN 0.088 nan 8.210 nan 0.000 0.396 636 E N 4.066 124.508 120.200 0.403 0.000 2.343 636 E HA 0.331 4.681 4.350 -0.001 0.000 0.269 636 E C -2.302 174.439 176.600 0.235 0.000 1.047 636 E CA -2.162 54.418 56.400 0.300 0.000 0.874 636 E CB 0.232 30.017 29.700 0.141 0.000 1.033 636 E HN 0.113 nan 8.360 nan 0.000 0.409 637 P HA 0.180 nan 4.420 nan 0.000 0.275 637 P C -2.485 174.750 177.300 -0.108 0.000 1.228 637 P CA -1.447 61.561 63.100 -0.153 0.000 0.786 637 P CB -0.332 30.986 31.700 -0.635 0.000 0.927 638 P HA 0.233 nan 4.420 nan 0.000 0.271 638 P C 0.981 178.160 177.300 -0.202 0.000 1.216 638 P CA -0.122 62.911 63.100 -0.112 0.000 0.776 638 P CB 0.843 32.445 31.700 -0.163 0.000 0.881 639 R N 1.357 121.749 120.500 -0.180 0.000 2.081 639 R HA 0.066 4.405 4.340 -0.001 0.000 0.235 639 R C 1.217 177.430 176.300 -0.145 0.000 1.131 639 R CA 1.910 57.907 56.100 -0.172 0.000 0.960 639 R CB -0.318 29.945 30.300 -0.062 0.000 0.856 639 R HN 0.759 nan 8.270 nan 0.000 0.436 640 G N -3.577 105.116 108.800 -0.178 0.000 2.645 640 G HA2 0.226 4.185 3.960 -0.001 0.000 0.292 640 G HA3 0.226 4.185 3.960 -0.001 0.000 0.292 640 G C -0.807 173.912 174.900 -0.302 0.000 1.415 640 G CA -0.678 44.270 45.100 -0.254 0.000 0.785 640 G HN 0.058 nan 8.290 nan 0.000 0.483 641 Y N -0.864 119.400 120.300 -0.059 0.000 2.314 641 Y HA 0.240 4.790 4.550 -0.000 0.000 0.293 641 Y C 1.367 177.171 175.900 -0.160 0.000 1.129 641 Y CA 0.403 58.434 58.100 -0.115 0.000 1.201 641 Y CB 0.144 38.547 38.460 -0.094 0.000 0.999 641 Y HN 0.109 nan 8.280 nan 0.000 0.541 642 V N 0.175 120.089 119.914 -0.001 0.000 2.487 642 V HA 0.357 4.477 4.120 -0.001 0.000 0.298 642 V C -0.295 175.781 176.094 -0.029 0.000 1.028 642 V CA -1.168 61.109 62.300 -0.039 0.000 0.860 642 V CB 1.680 33.468 31.823 -0.058 0.000 0.991 642 V HN 0.082 nan 8.190 nan 0.000 0.427 643 S N 5.722 121.405 115.700 -0.028 0.000 2.437 643 S HA 0.744 5.213 4.470 -0.001 0.000 0.305 643 S C -0.778 173.815 174.600 -0.012 0.000 1.109 643 S CA -0.456 57.733 58.200 -0.019 0.000 1.099 643 S CB 0.688 63.876 63.200 -0.020 0.000 1.004 643 S HN 0.449 nan 8.310 nan 0.000 0.475 644 I N 3.814 124.380 120.570 -0.006 0.000 2.392 644 I HA 0.573 4.743 4.170 -0.001 0.000 0.295 644 I C -0.022 176.096 176.117 0.001 0.000 0.985 644 I CA -0.251 61.048 61.300 -0.001 0.000 1.221 644 I CB 1.706 39.706 38.000 0.000 0.000 1.366 644 I HN 0.632 nan 8.210 nan 0.000 0.467 645 K N 4.421 124.823 120.400 0.003 0.000 2.422 645 K HA 0.871 5.190 4.320 -0.001 0.000 0.251 645 K C -1.192 175.412 176.600 0.006 0.000 0.933 645 K CA -0.482 55.806 56.287 0.001 0.000 0.798 645 K CB 1.922 34.417 32.500 -0.009 0.000 1.238 645 K HN 0.654 nan 8.250 nan 0.000 0.428 646 A N 1.647 124.471 122.820 0.006 0.000 2.293 646 A HA 0.739 5.058 4.320 -0.001 0.000 0.302 646 A C -0.643 176.945 177.584 0.008 0.000 1.119 646 A CA -0.032 52.011 52.037 0.009 0.000 0.823 646 A CB 0.830 19.835 19.000 0.009 0.000 1.097 646 A HN 0.802 nan 8.150 nan 0.000 0.491 647 S N -0.146 115.562 115.700 0.013 0.000 2.587 647 S HA 0.391 4.860 4.470 -0.001 0.000 0.269 647 S C 0.464 175.076 174.600 0.020 0.000 1.154 647 S CA 0.088 58.295 58.200 0.012 0.000 0.824 647 S CB 0.958 64.164 63.200 0.010 0.000 1.118 647 S HN 0.989 nan 8.310 nan 0.000 0.462 648 K N 0.652 121.063 120.400 0.019 0.000 2.148 648 K HA 0.071 4.391 4.320 -0.001 0.000 0.204 648 K C 0.486 177.105 176.600 0.033 0.000 1.050 648 K CA 1.715 58.016 56.287 0.023 0.000 0.942 648 K CB -0.397 32.116 32.500 0.021 0.000 0.724 648 K HN 0.544 nan 8.250 nan 0.000 0.446 649 D N 1.288 121.713 120.400 0.042 0.000 2.324 649 D HA 0.117 4.757 4.640 -0.001 0.000 0.235 649 D C 0.610 176.955 176.300 0.074 0.000 1.095 649 D CA 0.984 55.022 54.000 0.063 0.000 0.871 649 D CB 0.401 41.250 40.800 0.083 0.000 0.906 649 D HN 0.529 nan 8.370 nan 0.000 0.522 650 G N 0.675 109.507 108.800 0.054 0.000 2.422 650 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.607 650 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.607 650 G C -0.771 174.159 174.900 0.050 0.000 1.270 650 G CA -1.021 44.109 45.100 0.049 0.000 0.992 650 G HN 0.142 nan 8.290 nan 0.000 0.499 651 I N 0.669 121.262 120.570 0.040 0.000 2.416 651 I HA 0.353 4.522 4.170 -0.001 0.000 0.288 651 I C 0.510 176.664 176.117 0.062 0.000 1.051 651 I CA -0.274 61.046 61.300 0.034 0.000 1.375 651 I CB 0.926 38.934 38.000 0.013 0.000 1.407 651 I HN 0.334 nan 8.210 nan 0.000 0.516 652 L N 7.762 129.018 121.223 0.055 0.000 2.265 652 L HA 0.453 4.793 4.340 -0.001 0.000 0.289 652 L C -0.013 176.882 176.870 0.042 0.000 1.033 652 L CA -0.331 54.553 54.840 0.072 0.000 0.814 652 L CB 0.693 42.763 42.059 0.018 0.000 1.203 652 L HN 0.555 nan 8.230 nan 0.000 0.423 653 R N 3.094 123.628 120.500 0.056 0.000 2.562 653 R HA 0.492 4.832 4.340 -0.001 0.000 0.298 653 R C -0.958 175.348 176.300 0.010 0.000 0.961 653 R CA -0.620 55.490 56.100 0.017 0.000 0.881 653 R CB 2.266 32.565 30.300 -0.001 0.000 1.159 653 R HN 0.489 nan 8.270 nan 0.000 0.450 654 Q N 2.540 122.331 119.800 -0.016 0.000 2.274 654 Q HA 0.322 4.662 4.340 -0.001 0.000 0.268 654 Q C -1.377 174.601 176.000 -0.037 0.000 1.015 654 Q CA -0.676 55.108 55.803 -0.031 0.000 0.775 654 Q CB 2.115 30.832 28.738 -0.035 0.000 1.256 654 Q HN 0.381 nan 8.270 nan 0.000 0.442 655 V N 3.831 123.720 119.914 -0.041 0.000 2.546 655 V HA 0.247 4.366 4.120 -0.001 0.000 0.284 655 V C 0.565 176.669 176.094 0.017 0.000 1.050 655 V CA -0.737 61.542 62.300 -0.036 0.000 0.981 655 V CB 1.034 32.827 31.823 -0.050 0.000 0.990 655 V HN 0.679 nan 8.190 nan 0.000 0.474 656 V N 3.039 122.975 119.914 0.036 0.000 2.901 656 V HA 0.178 4.298 4.120 -0.001 0.000 0.307 656 V C -2.175 174.025 176.094 0.177 0.000 1.084 656 V CA -1.456 60.875 62.300 0.052 0.000 1.184 656 V CB -0.671 31.058 31.823 -0.157 0.000 0.941 656 V HN 0.764 nan 8.190 nan 0.000 0.493 657 P HA 0.053 nan 4.420 nan 0.000 0.262 657 P C 0.189 177.643 177.300 0.258 0.000 1.182 657 P CA 0.817 63.928 63.100 0.018 0.000 0.761 657 P CB 0.023 31.412 31.700 -0.519 0.000 0.795 658 D N 1.761 122.318 120.400 0.263 0.000 2.689 658 D HA -0.272 4.368 4.640 -0.001 0.000 0.237 658 D C 0.357 176.899 176.300 0.403 0.000 1.148 658 D CA 0.583 54.799 54.000 0.360 0.000 0.656 658 D CB -1.403 39.659 40.800 0.437 0.000 1.050 658 D HN 0.480 nan 8.370 nan 0.000 0.426 659 Y N 0.405 120.865 120.300 0.267 0.000 2.181 659 Y HA -0.171 4.379 4.550 -0.000 0.000 0.288 659 Y C 2.165 178.176 175.900 0.185 0.000 1.146 659 Y CA 2.511 60.758 58.100 0.245 0.000 1.164 659 Y CB -0.163 38.370 38.460 0.123 0.000 0.982 659 Y HN 0.267 nan 8.280 nan 0.000 0.515 660 E N -0.391 119.852 120.200 0.071 0.000 2.082 660 E HA -0.339 4.011 4.350 -0.001 0.000 0.215 660 E C 1.691 178.125 176.600 -0.277 0.000 1.048 660 E CA 2.609 58.903 56.400 -0.177 0.000 0.869 660 E CB -0.337 29.137 29.700 -0.377 0.000 0.773 660 E HN 0.765 nan 8.360 nan 0.000 0.466 661 H N -1.828 117.256 119.070 0.023 0.000 2.562 661 H HA 0.224 4.780 4.556 -0.001 0.000 0.267 661 H C 0.965 176.210 175.328 -0.139 0.000 0.959 661 H CA 0.556 56.574 56.048 -0.051 0.000 1.204 661 H CB 0.473 30.218 29.762 -0.028 0.000 1.430 661 H HN 0.113 nan 8.280 nan 0.000 0.545 662 L N 1.049 122.280 121.223 0.012 0.000 2.906 662 L HA 0.063 4.402 4.340 -0.001 0.000 0.255 662 L C 1.913 178.776 176.870 -0.011 0.000 1.166 662 L CA -0.152 54.659 54.840 -0.050 0.000 0.977 662 L CB 0.001 42.060 42.059 -0.000 0.000 1.313 662 L HN 0.477 nan 8.230 nan 0.000 0.549 663 H N -0.331 118.650 119.070 -0.148 0.000 2.289 663 H HA -0.228 4.328 4.556 -0.001 0.000 0.294 663 H C 0.635 176.028 175.328 0.109 0.000 1.095 663 H CA 1.995 57.903 56.048 -0.232 0.000 1.256 663 H CB -0.501 28.648 29.762 -1.020 0.000 1.359 663 H HN 0.342 nan 8.280 nan 0.000 0.487 664 D N 1.426 121.620 120.400 -0.344 0.000 2.264 664 D HA 0.017 4.657 4.640 -0.001 0.000 0.208 664 D C 2.328 178.637 176.300 0.014 0.000 0.966 664 D CA 1.094 55.061 54.000 -0.054 0.000 0.864 664 D CB -0.234 40.485 40.800 -0.135 0.000 0.933 664 D HN 0.578 nan 8.370 nan 0.000 0.499 665 A N 0.542 123.331 122.820 -0.052 0.000 1.898 665 A HA -0.128 4.192 4.320 -0.001 0.000 0.216 665 A C 0.807 178.392 177.584 0.003 0.000 1.181 665 A CA 0.559 52.552 52.037 -0.073 0.000 0.620 665 A CB -0.744 18.142 19.000 -0.190 0.000 0.819 665 A HN 0.094 nan 8.150 nan 0.000 0.442 666 Y N 0.013 120.403 120.300 0.149 0.000 2.709 666 Y HA 0.187 4.737 4.550 -0.000 0.000 0.348 666 Y C 0.816 176.810 175.900 0.156 0.000 1.267 666 Y CA 1.177 59.393 58.100 0.193 0.000 1.486 666 Y CB 0.298 38.933 38.460 0.292 0.000 1.356 666 Y HN 0.488 nan 8.280 nan 0.000 0.639 667 E N 2.519 122.919 120.200 0.334 0.000 2.279 667 E HA 0.395 4.745 4.350 -0.001 0.000 0.252 667 E C -1.752 174.908 176.600 0.100 0.000 0.894 667 E CA -0.448 56.074 56.400 0.203 0.000 0.785 667 E CB 0.333 30.159 29.700 0.211 0.000 1.237 667 E HN 0.581 nan 8.360 nan 0.000 0.418 668 L N 4.560 125.790 121.223 0.012 0.000 2.452 668 L HA 0.121 4.461 4.340 -0.001 0.000 0.267 668 L C 1.621 178.375 176.870 -0.194 0.000 1.188 668 L CA -0.511 54.254 54.840 -0.125 0.000 0.821 668 L CB 0.403 42.348 42.059 -0.190 0.000 1.102 668 L HN 0.759 nan 8.230 nan 0.000 0.470 669 L N 2.116 123.126 121.223 -0.355 0.000 2.011 669 L HA -0.243 4.096 4.340 -0.001 0.000 0.225 669 L C 1.642 178.159 176.870 -0.588 0.000 1.084 669 L CA 2.234 56.702 54.840 -0.620 0.000 0.791 669 L CB -0.505 41.000 42.059 -0.924 0.000 0.898 669 L HN 0.585 nan 8.230 nan 0.000 0.440 670 W N -0.310 120.940 121.300 -0.083 0.000 3.292 670 W HA 0.082 4.743 4.660 0.000 0.000 0.263 670 W C 1.961 178.460 176.519 -0.033 0.000 1.318 670 W CA 0.066 57.379 57.345 -0.053 0.000 1.663 670 W CB -0.123 29.316 29.460 -0.036 0.000 1.114 670 W HN 0.292 nan 8.180 nan 0.000 0.706 671 E N 0.249 120.514 120.200 0.108 0.000 2.400 671 E HA 0.028 4.378 4.350 -0.001 0.000 0.195 671 E C 0.826 177.469 176.600 0.072 0.000 1.012 671 E CA 0.205 56.662 56.400 0.095 0.000 0.875 671 E CB -0.009 29.739 29.700 0.080 0.000 0.859 671 E HN 0.270 nan 8.360 nan 0.000 0.498 672 M N 2.092 121.711 119.600 0.031 0.000 2.217 672 M HA 0.068 4.547 4.480 -0.001 0.000 0.352 672 M C -1.796 174.538 176.300 0.056 0.000 1.376 672 M CA -1.369 53.950 55.300 0.032 0.000 1.107 672 M CB 0.207 32.790 32.600 -0.028 0.000 1.723 672 M HN -0.211 nan 8.290 nan 0.000 0.461 673 P HA 0.008 nan 4.420 nan 0.000 0.223 673 P C 0.498 177.831 177.300 0.054 0.000 1.151 673 P CA 0.720 63.849 63.100 0.049 0.000 0.787 673 P CB 0.332 32.058 31.700 0.043 0.000 0.788 674 G N -1.770 107.067 108.800 0.062 0.000 2.570 674 G HA2 0.115 4.075 3.960 -0.001 0.000 0.310 674 G HA3 0.115 4.075 3.960 -0.001 0.000 0.310 674 G C -0.293 174.631 174.900 0.039 0.000 1.266 674 G CA -0.360 44.783 45.100 0.071 0.000 0.825 674 G HN -0.210 nan 8.290 nan 0.000 0.483 675 N N 0.197 118.928 118.700 0.052 0.000 2.325 675 N HA 0.042 4.781 4.740 -0.001 0.000 0.182 675 N C 1.030 176.646 175.510 0.177 0.000 1.088 675 N CA 0.302 53.396 53.050 0.074 0.000 0.879 675 N CB 0.518 39.029 38.487 0.040 0.000 0.983 675 N HN 0.489 nan 8.380 nan 0.000 0.471 676 D N 1.276 121.775 120.400 0.164 0.000 2.103 676 D HA -0.156 4.483 4.640 -0.001 0.000 0.190 676 D C 1.958 178.343 176.300 0.141 0.000 0.997 676 D CA 1.520 55.621 54.000 0.169 0.000 0.833 676 D CB -0.398 40.494 40.800 0.153 0.000 0.961 676 D HN 0.236 nan 8.370 nan 0.000 0.447 677 G N 0.383 109.266 108.800 0.139 0.000 2.599 677 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.219 677 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.219 677 G C 1.584 176.595 174.900 0.184 0.000 1.193 677 G CA 1.324 46.507 45.100 0.138 0.000 0.778 677 G HN 0.350 nan 8.290 nan 0.000 0.589 678 Y N 1.139 121.518 120.300 0.133 0.000 2.181 678 Y HA -0.012 4.538 4.550 -0.000 0.000 0.288 678 Y C 2.655 178.611 175.900 0.093 0.000 1.146 678 Y CA 1.538 59.743 58.100 0.175 0.000 1.164 678 Y CB -0.252 38.299 38.460 0.152 0.000 0.982 678 Y HN 0.128 nan 8.280 nan 0.000 0.515 679 L N 0.104 121.458 121.223 0.218 0.000 2.083 679 L HA -0.265 4.075 4.340 -0.001 0.000 0.209 679 L C 2.560 179.389 176.870 -0.069 0.000 1.083 679 L CA 1.423 56.321 54.840 0.097 0.000 0.752 679 L CB -0.695 41.503 42.059 0.231 0.000 0.899 679 L HN 0.358 nan 8.230 nan 0.000 0.433 680 Q N 0.103 119.814 119.800 -0.148 0.000 2.014 680 Q HA -0.239 4.101 4.340 -0.001 0.000 0.207 680 Q C 2.378 178.209 176.000 -0.281 0.000 0.993 680 Q CA 1.566 57.136 55.803 -0.389 0.000 0.850 680 Q CB -0.339 28.187 28.738 -0.354 0.000 0.916 680 Q HN 0.531 nan 8.270 nan 0.000 0.417 681 L N 0.238 121.347 121.223 -0.190 0.000 2.127 681 L HA -0.185 4.155 4.340 -0.001 0.000 0.211 681 L C 2.427 179.097 176.870 -0.333 0.000 1.089 681 L CA 0.748 55.472 54.840 -0.194 0.000 0.757 681 L CB -0.566 41.442 42.059 -0.085 0.000 0.899 681 L HN 0.106 nan 8.230 nan 0.000 0.434 682 V N 0.216 119.893 119.914 -0.395 0.000 2.358 682 V HA -0.166 3.953 4.120 -0.001 0.000 0.246 682 V C 2.675 178.608 176.094 -0.269 0.000 1.047 682 V CA 1.906 63.971 62.300 -0.392 0.000 1.035 682 V CB -1.160 30.441 31.823 -0.370 0.000 0.658 682 V HN 0.549 nan 8.190 nan 0.000 0.452 683 G N 0.115 108.798 108.800 -0.195 0.000 2.446 683 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.217 683 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.217 683 G C 1.585 176.368 174.900 -0.196 0.000 1.168 683 G CA 1.222 46.241 45.100 -0.136 0.000 0.771 683 G HN 0.482 nan 8.290 nan 0.000 0.551 684 I N 0.532 120.967 120.570 -0.224 0.000 2.179 684 I HA -0.230 3.940 4.170 -0.001 0.000 0.242 684 I C 2.978 178.959 176.117 -0.227 0.000 1.088 684 I CA 1.339 62.524 61.300 -0.193 0.000 1.357 684 I CB -0.223 37.723 38.000 -0.090 0.000 1.051 684 I HN 0.189 nan 8.210 nan 0.000 0.409 685 M N -0.368 119.016 119.600 -0.360 0.000 2.108 685 M HA -0.264 4.216 4.480 -0.001 0.000 0.261 685 M C 2.335 178.476 176.300 -0.265 0.000 1.066 685 M CA 1.682 56.650 55.300 -0.554 0.000 1.107 685 M CB -0.493 31.465 32.600 -1.070 0.000 1.356 685 M HN 0.133 nan 8.290 nan 0.000 0.406 686 Q N 1.125 120.798 119.800 -0.212 0.000 2.291 686 Q HA -0.132 4.207 4.340 -0.001 0.000 0.206 686 Q C 1.787 177.793 176.000 0.011 0.000 0.976 686 Q CA 1.518 57.275 55.803 -0.077 0.000 0.875 686 Q CB -0.260 28.447 28.738 -0.053 0.000 0.927 686 Q HN 0.397 nan 8.270 nan 0.000 0.450 687 K N -0.807 119.471 120.400 -0.203 0.000 2.020 687 K HA -0.187 4.132 4.320 -0.001 0.000 0.212 687 K C 1.044 177.428 176.600 -0.359 0.000 1.050 687 K CA 1.761 57.782 56.287 -0.444 0.000 0.929 687 K CB -0.191 31.700 32.500 -1.015 0.000 0.714 687 K HN 0.298 nan 8.250 nan 0.000 0.443 688 F N 0.667 120.610 119.950 -0.013 0.000 2.754 688 F HA 0.190 4.717 4.527 -0.001 0.000 0.297 688 F C 0.817 176.682 175.800 0.109 0.000 1.122 688 F CA -0.248 57.789 58.000 0.062 0.000 1.400 688 F CB 0.223 39.280 39.000 0.095 0.000 1.117 688 F HN -0.114 nan 8.300 nan 0.000 0.587 689 I N 1.315 122.002 120.570 0.194 0.000 2.441 689 I HA -0.015 4.154 4.170 -0.001 0.000 0.287 689 I C 1.000 177.142 176.117 0.041 0.000 1.049 689 I CA 0.057 61.437 61.300 0.133 0.000 1.381 689 I CB 0.667 38.703 38.000 0.060 0.000 1.409 689 I HN 0.093 nan 8.210 nan 0.000 0.523 690 D N 4.069 124.512 120.400 0.072 0.000 2.097 690 D HA -0.120 4.520 4.640 -0.001 0.000 0.197 690 D C 1.418 177.710 176.300 -0.014 0.000 0.984 690 D CA 1.506 55.525 54.000 0.030 0.000 0.826 690 D CB 0.516 41.377 40.800 0.102 0.000 0.973 690 D HN 0.601 nan 8.370 nan 0.000 0.460 691 Q N -0.227 119.583 119.800 0.016 0.000 3.050 691 Q HA 0.291 4.631 4.340 -0.001 0.000 0.256 691 Q C 0.515 176.508 176.000 -0.012 0.000 1.161 691 Q CA -0.185 55.626 55.803 0.014 0.000 0.329 691 Q CB 0.404 29.157 28.738 0.024 0.000 5.721 691 Q HN -0.046 nan 8.270 nan 0.000 0.326 692 S N -1.225 114.464 115.700 -0.017 0.000 2.806 692 S HA 0.664 5.134 4.470 -0.001 0.000 0.306 692 S C -1.521 173.052 174.600 -0.046 0.000 1.167 692 S CA -0.706 57.479 58.200 -0.025 0.000 0.847 692 S CB 0.951 64.139 63.200 -0.020 0.000 1.216 692 S HN 0.320 nan 8.310 nan 0.000 0.532 693 I N 1.225 121.763 120.570 -0.054 0.000 2.689 693 I HA 0.353 4.523 4.170 -0.001 0.000 0.299 693 I C -0.321 175.753 176.117 -0.070 0.000 1.059 693 I CA -0.509 60.746 61.300 -0.075 0.000 1.055 693 I CB 2.446 40.380 38.000 -0.109 0.000 1.243 693 I HN 0.460 nan 8.210 nan 0.000 0.425 694 S N 4.566 120.212 115.700 -0.089 0.000 4.139 694 S HA 0.390 4.860 4.470 -0.001 0.000 0.215 694 S C 0.317 174.968 174.600 0.083 0.000 1.390 694 S CA -0.584 57.543 58.200 -0.122 0.000 0.885 694 S CB -0.295 62.757 63.200 -0.246 0.000 1.560 694 S HN 0.613 nan 8.310 nan 0.000 0.449 695 A N 3.061 125.960 122.820 0.132 0.000 2.425 695 A HA 0.354 4.674 4.320 -0.001 0.000 0.249 695 A C 0.488 178.278 177.584 0.342 0.000 1.084 695 A CA -0.414 51.791 52.037 0.281 0.000 0.781 695 A CB 0.300 19.442 19.000 0.236 0.000 1.019 695 A HN 0.669 nan 8.150 nan 0.000 0.490 696 N N -0.311 118.612 118.700 0.371 0.000 2.404 696 N HA 0.590 5.329 4.740 -0.001 0.000 0.297 696 N C -0.854 174.715 175.510 0.099 0.000 1.163 696 N CA -0.289 52.883 53.050 0.203 0.000 0.864 696 N CB 1.993 40.532 38.487 0.086 0.000 1.247 696 N HN 0.759 nan 8.380 nan 0.000 0.510 697 T N -0.951 113.661 114.554 0.096 0.000 2.824 697 T HA 0.459 4.808 4.350 -0.001 0.000 0.282 697 T C -0.758 173.886 174.700 -0.093 0.000 0.993 697 T CA -1.022 61.087 62.100 0.015 0.000 0.967 697 T CB 1.198 70.185 68.868 0.198 0.000 0.960 697 T HN 0.332 nan 8.240 nan 0.000 0.441 698 N N 2.051 120.550 118.700 -0.334 0.000 2.269 698 N HA 0.449 5.189 4.740 -0.001 0.000 0.304 698 N C -1.676 173.636 175.510 -0.331 0.000 1.072 698 N CA -0.544 52.383 53.050 -0.206 0.000 0.802 698 N CB 2.214 40.479 38.487 -0.370 0.000 1.348 698 N HN 0.630 nan 8.380 nan 0.000 0.484 699 Y N -0.399 120.163 120.300 0.437 0.000 2.421 699 Y HA 0.201 4.751 4.550 -0.000 0.000 0.339 699 Y C -0.538 175.553 175.900 0.317 0.000 0.996 699 Y CA -0.969 57.367 58.100 0.393 0.000 1.046 699 Y CB 1.887 40.481 38.460 0.223 0.000 1.226 699 Y HN 0.367 nan 8.280 nan 0.000 0.445 700 D N 4.696 125.354 120.400 0.429 0.000 2.414 700 D HA 0.340 4.979 4.640 -0.001 0.000 0.232 700 D C -2.113 174.349 176.300 0.269 0.000 1.070 700 D CA -2.633 51.411 54.000 0.074 0.000 0.839 700 D CB 2.185 42.964 40.800 -0.036 0.000 1.079 700 D HN 0.163 nan 8.370 nan 0.000 0.521 701 P HA -0.107 nan 4.420 nan 0.000 0.216 701 P C 1.404 178.832 177.300 0.214 0.000 1.150 701 P CA 0.763 63.996 63.100 0.222 0.000 0.837 701 P CB 0.330 32.068 31.700 0.064 0.000 0.786 702 S N -0.767 114.976 115.700 0.071 0.000 2.423 702 S HA -0.169 4.300 4.470 -0.001 0.000 0.238 702 S C 1.650 176.252 174.600 0.002 0.000 1.028 702 S CA 1.065 59.279 58.200 0.023 0.000 1.000 702 S CB -0.609 62.571 63.200 -0.033 0.000 0.797 702 S HN 0.223 nan 8.310 nan 0.000 0.487 703 R N -0.511 119.960 120.500 -0.049 0.000 2.310 703 R HA 0.174 4.513 4.340 -0.001 0.000 0.202 703 R C -0.728 175.250 176.300 -0.537 0.000 0.933 703 R CA 0.288 56.206 56.100 -0.304 0.000 1.054 703 R CB 0.044 30.064 30.300 -0.466 0.000 0.985 703 R HN 0.317 nan 8.270 nan 0.000 0.489 704 F N 0.718 120.693 119.950 0.042 0.000 2.563 704 F HA 0.371 4.898 4.527 -0.000 0.000 0.316 704 F C -1.969 173.846 175.800 0.024 0.000 1.076 704 F CA -3.349 54.675 58.000 0.039 0.000 0.921 704 F CB 1.072 40.096 39.000 0.041 0.000 1.209 704 F HN -0.219 nan 8.300 nan 0.000 0.462 705 P HA 0.006 nan 4.420 nan 0.000 0.262 705 P C 0.101 177.466 177.300 0.108 0.000 1.182 705 P CA 0.593 63.764 63.100 0.117 0.000 0.761 705 P CB 0.638 32.397 31.700 0.098 0.000 0.795 706 S N 1.778 117.521 115.700 0.072 0.000 3.476 706 S HA -0.178 4.292 4.470 -0.001 0.000 0.309 706 S C 1.186 175.821 174.600 0.058 0.000 1.222 706 S CA 1.090 59.321 58.200 0.052 0.000 0.922 706 S CB -2.199 61.025 63.200 0.039 0.000 1.023 706 S HN 1.118 nan 8.310 nan 0.000 0.591 707 G N 1.259 110.113 108.800 0.090 0.000 2.361 707 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.294 707 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.294 707 G C -0.217 174.726 174.900 0.073 0.000 1.004 707 G CA 0.976 46.137 45.100 0.101 0.000 0.870 707 G HN 0.920 nan 8.290 nan 0.000 0.510 708 K N -0.077 120.355 120.400 0.054 0.000 2.483 708 K HA 0.576 4.895 4.320 -0.001 0.000 0.256 708 K C -0.109 176.354 176.600 -0.228 0.000 0.961 708 K CA -1.112 55.140 56.287 -0.059 0.000 0.873 708 K CB 2.671 35.144 32.500 -0.044 0.000 1.107 708 K HN 0.029 nan 8.250 nan 0.000 0.432 709 V N 4.133 123.781 119.914 -0.443 0.000 2.493 709 V HA 0.029 4.149 4.120 -0.001 0.000 0.292 709 V C -1.688 174.079 176.094 -0.545 0.000 1.016 709 V CA -1.027 60.721 62.300 -0.920 0.000 1.097 709 V CB -0.530 30.787 31.823 -0.844 0.000 0.947 709 V HN 0.714 nan 8.190 nan 0.000 0.479 710 P HA 0.132 nan 4.420 nan 0.000 0.271 710 P C 0.509 177.696 177.300 -0.188 0.000 1.216 710 P CA -0.455 62.520 63.100 -0.209 0.000 0.771 710 P CB 0.779 32.439 31.700 -0.068 0.000 0.864 711 M N 2.845 122.379 119.600 -0.111 0.000 2.159 711 M HA -0.196 4.283 4.480 -0.001 0.000 0.263 711 M C 2.066 178.348 176.300 -0.030 0.000 1.063 711 M CA 1.871 57.127 55.300 -0.072 0.000 1.110 711 M CB -0.871 31.710 32.600 -0.031 0.000 1.374 711 M HN 0.321 nan 8.290 nan 0.000 0.411 712 Q N 0.006 119.800 119.800 -0.010 0.000 2.077 712 Q HA -0.281 4.059 4.340 -0.001 0.000 0.206 712 Q C 2.128 178.153 176.000 0.042 0.000 0.989 712 Q CA 2.505 58.322 55.803 0.022 0.000 0.853 712 Q CB -0.459 28.299 28.738 0.035 0.000 0.907 712 Q HN 0.649 nan 8.270 nan 0.000 0.418 713 Q N -0.192 119.630 119.800 0.037 0.000 2.061 713 Q HA -0.118 4.222 4.340 -0.001 0.000 0.204 713 Q C 1.938 177.994 176.000 0.093 0.000 0.984 713 Q CA 1.826 57.690 55.803 0.101 0.000 0.846 713 Q CB -0.401 28.418 28.738 0.134 0.000 0.902 713 Q HN 0.570 nan 8.270 nan 0.000 0.421 714 L N -0.530 120.668 121.223 -0.041 0.000 2.046 714 L HA -0.191 4.149 4.340 -0.001 0.000 0.208 714 L C 2.359 179.293 176.870 0.106 0.000 1.077 714 L CA 1.080 55.909 54.840 -0.018 0.000 0.747 714 L CB -0.498 41.486 42.059 -0.124 0.000 0.896 714 L HN 0.272 nan 8.230 nan 0.000 0.432 715 L N -0.308 120.965 121.223 0.084 0.000 2.109 715 L HA -0.188 4.152 4.340 -0.001 0.000 0.207 715 L C 2.649 179.575 176.870 0.093 0.000 1.086 715 L CA 0.898 55.798 54.840 0.100 0.000 0.760 715 L CB -0.415 41.678 42.059 0.056 0.000 0.910 715 L HN 0.197 nan 8.230 nan 0.000 0.437 716 K N 0.637 121.094 120.400 0.094 0.000 2.009 716 K HA -0.222 4.098 4.320 -0.001 0.000 0.210 716 K C 1.665 178.346 176.600 0.135 0.000 1.049 716 K CA 1.917 58.264 56.287 0.099 0.000 0.929 716 K CB -0.188 32.380 32.500 0.112 0.000 0.714 716 K HN 0.126 nan 8.250 nan 0.000 0.440 717 D N 0.111 120.630 120.400 0.197 0.000 2.144 717 D HA -0.140 4.499 4.640 -0.001 0.000 0.199 717 D C 1.823 178.255 176.300 0.220 0.000 0.984 717 D CA 0.957 55.099 54.000 0.238 0.000 0.834 717 D CB -0.215 40.790 40.800 0.342 0.000 0.955 717 D HN 0.203 nan 8.370 nan 0.000 0.465 718 L N 0.391 121.743 121.223 0.215 0.000 2.046 718 L HA -0.123 4.217 4.340 -0.001 0.000 0.208 718 L C 2.091 179.031 176.870 0.118 0.000 1.077 718 L CA 1.413 56.387 54.840 0.223 0.000 0.747 718 L CB -0.401 41.828 42.059 0.282 0.000 0.896 718 L HN 0.004 nan 8.230 nan 0.000 0.432 719 L N -1.456 119.787 121.223 0.034 0.000 2.056 719 L HA -0.176 4.164 4.340 -0.001 0.000 0.207 719 L C 2.363 179.215 176.870 -0.029 0.000 1.078 719 L CA 1.563 56.345 54.840 -0.097 0.000 0.749 719 L CB -1.189 40.812 42.059 -0.097 0.000 0.901 719 L HN 0.232 nan 8.230 nan 0.000 0.433 720 T N 0.195 114.777 114.554 0.046 0.000 2.607 720 T HA -0.291 4.058 4.350 -0.001 0.000 0.267 720 T C 2.051 176.824 174.700 0.122 0.000 1.049 720 T CA 1.722 63.867 62.100 0.076 0.000 1.162 720 T CB -0.392 68.595 68.868 0.197 0.000 0.863 720 T HN 0.469 nan 8.240 nan 0.000 0.424 721 A N 0.390 123.322 122.820 0.187 0.000 1.892 721 A HA -0.172 4.147 4.320 -0.001 0.000 0.218 721 A C 2.112 179.797 177.584 0.168 0.000 1.188 721 A CA 2.049 54.215 52.037 0.214 0.000 0.631 721 A CB -1.207 17.930 19.000 0.229 0.000 0.822 721 A HN 0.632 nan 8.150 nan 0.000 0.447 722 Y N 0.405 120.701 120.300 -0.008 0.000 2.128 722 Y HA -0.226 4.324 4.550 -0.001 0.000 0.284 722 Y C 2.416 178.330 175.900 0.025 0.000 1.154 722 Y CA 2.388 60.476 58.100 -0.021 0.000 1.149 722 Y CB -0.185 38.012 38.460 -0.438 0.000 0.976 722 Y HN 0.281 nan 8.280 nan 0.000 0.505 723 K N -0.549 119.811 120.400 -0.067 0.000 2.113 723 K HA -0.196 4.124 4.320 -0.001 0.000 0.208 723 K C 0.772 177.091 176.600 -0.469 0.000 1.047 723 K CA 1.561 57.661 56.287 -0.313 0.000 0.928 723 K CB -0.392 31.796 32.500 -0.520 0.000 0.716 723 K HN 0.338 nan 8.250 nan 0.000 0.446 724 F N 0.117 120.015 119.950 -0.086 0.000 2.660 724 F HA 0.248 4.774 4.527 -0.001 0.000 0.297 724 F C 1.209 176.872 175.800 -0.229 0.000 1.132 724 F CA 0.286 58.210 58.000 -0.128 0.000 1.372 724 F CB 0.499 39.455 39.000 -0.073 0.000 1.003 724 F HN 0.209 nan 8.300 nan 0.000 0.524 725 G N 0.366 108.997 108.800 -0.281 0.000 2.153 725 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.252 725 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.252 725 G C 0.176 174.962 174.900 -0.190 0.000 0.994 725 G CA 0.103 44.839 45.100 -0.607 0.000 0.698 725 G HN 0.153 nan 8.290 nan 0.000 0.521 726 V N 0.307 120.236 119.914 0.026 0.000 2.493 726 V HA 0.072 4.192 4.120 -0.001 0.000 0.292 726 V C 1.839 178.044 176.094 0.185 0.000 1.016 726 V CA 1.431 63.790 62.300 0.098 0.000 1.097 726 V CB 1.118 33.023 31.823 0.136 0.000 0.947 726 V HN 0.493 nan 8.190 nan 0.000 0.479 727 K N 2.357 122.837 120.400 0.135 0.000 2.007 727 K HA -0.018 4.301 4.320 -0.001 0.000 0.206 727 K C 0.878 177.578 176.600 0.167 0.000 1.047 727 K CA 1.459 57.843 56.287 0.163 0.000 0.937 727 K CB 0.068 32.628 32.500 0.098 0.000 0.718 727 K HN 0.923 nan 8.250 nan 0.000 0.438 728 T N -2.009 112.627 114.554 0.137 0.000 2.916 728 T HA 0.619 4.968 4.350 -0.001 0.000 0.292 728 T C -0.691 174.114 174.700 0.175 0.000 1.064 728 T CA -1.005 61.190 62.100 0.158 0.000 1.011 728 T CB 1.617 70.551 68.868 0.110 0.000 1.152 728 T HN -0.088 nan 8.240 nan 0.000 0.510 729 L N 1.888 123.241 121.223 0.218 0.000 2.409 729 L HA 0.514 4.854 4.340 -0.001 0.000 0.272 729 L C -0.867 176.164 176.870 0.269 0.000 0.980 729 L CA -1.007 53.982 54.840 0.248 0.000 0.826 729 L CB 1.904 44.132 42.059 0.282 0.000 1.268 729 L HN 0.727 nan 8.230 nan 0.000 0.407 730 Y N 2.926 123.235 120.300 0.014 0.000 3.037 730 Y HA 0.348 4.898 4.550 0.000 0.000 0.429 730 Y C 0.210 176.177 175.900 0.112 0.000 1.246 730 Y CA -0.660 57.291 58.100 -0.248 0.000 1.543 730 Y CB 0.182 38.407 38.460 -0.391 0.000 1.485 730 Y HN 0.277 nan 8.280 nan 0.000 0.825 731 Y N 1.851 121.953 120.300 -0.330 0.000 2.960 731 Y HA -0.020 4.530 4.550 -0.000 0.000 0.345 731 Y C 0.632 176.580 175.900 0.079 0.000 1.277 731 Y CA 0.588 58.608 58.100 -0.134 0.000 1.508 731 Y CB -0.088 38.213 38.460 -0.264 0.000 1.317 731 Y HN 0.296 nan 8.280 nan 0.000 0.639 732 Q N 3.102 123.093 119.800 0.319 0.000 2.357 732 Q HA 0.269 4.608 4.340 -0.001 0.000 0.266 732 Q C -1.404 174.724 176.000 0.212 0.000 1.021 732 Q CA -0.907 55.057 55.803 0.268 0.000 0.784 732 Q CB 0.511 29.418 28.738 0.282 0.000 1.243 732 Q HN 0.619 nan 8.270 nan 0.000 0.465 733 N N 2.608 121.423 118.700 0.191 0.000 2.434 733 N HA 0.248 4.987 4.740 -0.001 0.000 0.272 733 N C -1.094 174.637 175.510 0.369 0.000 1.040 733 N CA -0.065 53.115 53.050 0.216 0.000 0.956 733 N CB 1.657 40.270 38.487 0.211 0.000 1.108 733 N HN 0.371 nan 8.380 nan 0.000 0.481 734 T N 1.582 116.295 114.554 0.265 0.000 2.758 734 T HA 0.263 4.612 4.350 -0.001 0.000 0.285 734 T C 0.707 175.445 174.700 0.062 0.000 0.981 734 T CA -0.683 61.541 62.100 0.207 0.000 0.965 734 T CB 1.529 70.466 68.868 0.116 0.000 0.927 734 T HN 0.246 nan 8.240 nan 0.000 0.448 735 R N 1.884 122.252 120.500 -0.221 0.000 2.694 735 R HA 0.203 4.543 4.340 -0.001 0.000 0.268 735 R C -1.085 175.043 176.300 -0.286 0.000 1.061 735 R CA 0.117 55.872 56.100 -0.574 0.000 1.133 735 R CB 0.333 29.739 30.300 -1.490 0.000 1.020 735 R HN 0.538 nan 8.270 nan 0.000 0.475 736 D N 1.375 121.640 120.400 -0.224 0.000 2.318 736 D HA 0.277 4.917 4.640 -0.001 0.000 0.233 736 D C -0.747 175.485 176.300 -0.113 0.000 1.348 736 D CA -0.053 53.868 54.000 -0.132 0.000 0.983 736 D CB 1.428 42.186 40.800 -0.070 0.000 1.416 736 D HN 0.701 nan 8.370 nan 0.000 0.558 737 G N 0.000 108.727 108.800 -0.122 0.000 5.446 737 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 737 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 737 G CA 0.000 45.047 45.100 -0.088 0.000 0.502 737 G HN 0.000 nan 8.290 nan 0.000 0.925